Structure of CCT245737
CAS No.: 1489389-18-5
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
CCT245737 is a potent, ATP-competitive CHK1 inhibitor with an IC50 of 30-220 nM.
Synonyms: SRA737; PNT-737
4.5
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Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
CAS No. : | 1489389-18-5 |
Formula : | C16H16F3N7O |
M.W : | 379.34 |
SMILES Code : | N#CC1=NC=C(NC2=NC=C(C(F)(F)F)C(NC[C@H]3CNCCO3)=C2)N=C1 |
Synonyms : |
SRA737; PNT-737
|
MDL No. : | MFCD30489721 |
InChI Key : | YBYYWUUUGCNAHQ-LLVKDONJSA-N |
Pubchem ID : | 72165232 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Target |
|
In Vitro:
Cell Line
|
Concentration | Treated Time | Description | References |
C4-2B | 0.58 μM | 96 hours | AZD1775 showed time-dependent cell killing in C4-2B cells | PMC11556418 |
AsPC-1 | 1 μM | 6 h | Nitroxoline significantly decreased the viability of AsPC-1 cells with an IC50 value of 26.8 μM. | PMC8033610 |
22Rv1 | 0.71 μM | 96 hours | PMC11556418 | |
K562 | 100 nM | 24 hours | Inhibition of cell proliferation | PMC8017720 |
HEK293 | 100 nM | 24 hours | PMC8017720 | |
DMS114 | 100 nM | 24 hours | Evaluate cytotoxicity of CPT on DMS114 cells | PMC8017720 |
MDA-MB-231 cells | 0.1-1 μg/mL | 12 hours | Inhibits PI4KIIα activity, reduces exosome secretion | PMC9315679 |
MDA-MB-436 | 1819 nM | 24 hours | PMC11523970 | |
OVCAR3 | 730 nM | 24 hours | AZD1080 suppressed OVCAR3 cell proliferation in a concentration-dependent manner. | PMC11523970 |
CCRF-CEM | 100 nM | 24 hours | Evaluate cytotoxicity of CPT on CCRF-CEM cells | PMC8017720 |
DU145 SLFN11 WT | 100 nM | 24 hours | Evaluate cytotoxicity of CPT on SLFN11 WT cells | PMC8017720 |
DU145 SLFN11 KO | 100 nM | 24 hours | Evaluate cytotoxicity of CPT on SLFN11 KO cells | PMC8017720 |
K562 cells | 500 nM | 24 hours | PMC7551253 | |
LASCPC-01 | 0.38 μM | 4 days | AZD1775 inhibited the growth of LASCPC tumor spheroids | PMC11556418 |
NCI-H660 | 1.14 μM | 96 hours | AZD1775 showed time-dependent cell killing in NCI-H660 cells | PMC11556418 |
PC3 | 1.21 μM | 96 hours | Evaluate the inhibitory effect of TH287 on 8-oxodGTPase activity | PMC11556418 |
H1694 and H847 cells | 1μM | 72 hours | To evaluate the activation of the STING pathway by SRA737, showing time-dependent activation. | PMC7141083 |
H69 and H446 cells | 1μM | 24 hours | To assess SRA737-induced micronuclei formation, showing a significant increase in MN frequency. | PMC7141083 |
SCLC cell lines | 10μM | 96 hours | To evaluate the antiproliferative activity of SRA737 on SCLC cell lines, showing a range of sensitivities to SRA737. | PMC7141083 |
DU145 | 0.38 μM | 96 hours | To evaluate the effect of SAHA and veliparib alone or in combination on cell viability. Results showed that co-treatment significantly decreased cell viability. | PMC11556418 |
SW620 colorectal cancer cells | 0.8 μM | 84 hours | Evaluate the sensitivity of SW620 cells to the CHK1 inhibitor SRA737, showing that knockdown of POLA1 and POLE2 significantly increased cell sensitivity to SRA737. | PMC7611445 |
A549 non-small cell lung cancer cells | 0.4 μM | 84 hours | BZN induced massive cytoplasmic vacuolation in A549 cells, resembling macropinocytosis. | PMC7611445 |
SW620 | 3 μM | 6 h | Evaluate the effect of CCT245737 in resistant cells. Results showed that CCT245737 at 3 μM concentration inhibited 50% of pS296-CHK1. | PMC8033610 |
PEO1-PR cells | 0.2 μM | 24 hours | To evaluate the effect of SRA737 on PARPi-resistant cells, results showed that SRA737 increased the expression of p-CHK1 (S345) | PMC11253285 |
OVCAR3 cells | 0.2 μM | 24 hours | To evaluate the effect of SRA737 on replication stress and DNA double-strand breaks, results showed that SRA737 increased the expression of p-CHK1 (S345) and γ-H2AX | PMC11253285 |
OVCAR3 cells | 100 nM | 12 days | To assess the activity of SRA737 monotherapy in CCNE1 amplified HGSOC, results showed that 100 nM SRA737 inhibited more than 50% of colony area | PMC11253285 |
Mammary carcinoma cells (SUM149) | 0.25 μM | 24 hours | Evaluate the cytotoxic effects of SRA737 in combination with niraparib, showing that the combination led to cell death. | PMC6154848 |
Ovarian cancer cells (Spiky) | 0.25 μM | 24 hours | Evaluate the cytotoxic effects of SRA737 in combination with niraparib, showing that the combination led to cell death. | PMC6154848 |
Mammary carcinoma cells (BT474) | 0.25 μM | 24 hours | Evaluate the cytotoxic effects of SRA737 in combination with niraparib, showing that the combination led to cell death. | PMC6154848 |
In Vivo:
Species
|
Animal Model
|
Administration | Dosage | Frequency | Description | References |
B6129F1 mice | RPP xenograft model | 100mg/kg | Oral | 5 days on/2 days off | To evaluate the antitumor activity of SRA737 alone or in combination with anti-PD-L1, showing significant tumor growth inhibition with the combination. | PMC7141083 |
Mice | TRAMP mouse model | 100 mg/kg | Oral | 5 days-on / 2 days-off for four weeks | AZD1775 or SRA737 alone not only completely blocked tumor growth but also resulted in tumor regression | PMC11556418 |
Mice | Subcutaneous OVCAR3 tumor model | 25, 50, 100 or 150 mg/kg | oral | Once daily for 5 days, 2 days off, for 3 cycles | To evaluate the anti-tumor efficacy of SRA737 monotherapy in CCNE1 amplified tumors, results showed significant tumor growth inhibition in the 100 and 150 mg/kg dose groups | PMC11253285 |
Athymic mice | BT474 mammary tumor model | 25 mg/kg | Oral | Once daily for 5 days | Evaluate the anti-tumor effects of SRA737 in combination with niraparib, showing that the combination significantly suppressed tumor growth. | PMC6154848 |
NSG mice | OVCAR3 and MDA-MB436 xenograft models | 120 mg/kg QD | oral | 2 consecutive days/7 ×3 weeks | Evaluated the tumor growth inhibitory effects of the combination. Results showed significant tumor regression in the OVCAR3 model (p<0.0001) with TGI of 107.9%, and significant reduction in tumor volume in the MDA-MB-436 model (p=0.0025) with TGI of 44.7%. | PMC11523970 |
Clinical Trial:
NCT Number | Conditions | Phases | Recruitment | Completion Date | Locations |
NCT02797964 | Advanced Solid Tumors or Non-H... More >>odgkin's Lymphoma (NHL) Less << | PHASE1|PHASE2 | COMPLETED | 2019-10-28 | Royal Marsden Hospital, Sutton... More >>, London, SM2 5PT, United Kingdom|Belfast City Hospital, Belfast, Northern Ireland, BT9 7AB, United Kingdom|Oxford University Hospitals, Headington, Oxford, OX3 7LE, United Kingdom|Velindre Cancer Centre - Cardiff, Cardiff, Whitchurch, CF14 2TL, United Kingdom|The Clatterbridge Cancer Centre, Bebington, Wirral, CH63 4JY, United Kingdom|Western General Hospital, Edinburgh, EH4 2XU, United Kingdom|The Beatson West of Scotland Cancer Centre, Glasgow, G12 0YN, United Kingdom|The Leeds Teaching Hospitals of St James University Hospital, Leeds, LS9 7TF, United Kingdom|University Hospitals of Leicester, Leicester, LE1 5WW, United Kingdom|Guy's and St. Thomas, London, SE1 9RT, United Kingdom|Sarah Cannon Research Institute, London, W1G 6AD, United Kingdom|University College London Hospitals, London, W1T 7HA, United Kingdom|The Christie, Manchester, M20 4BX, United Kingdom|Freeman Hospital, Newcastle upon Tyne, NE7 7DN, United Kingdom|Sheffield Teaching Hospitals, Sheffield, S10 2SJ, United Kingdom Less << |
Tags: CCT245737 | CCT 245737 | CCT-245737 | Checkpoint Kinase (Chk) | CHK1 inhibitor | DNA damage response | cell cycle checkpoint | DNA repair | 1489389-18-5
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
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