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Structure of Valrubicin
CAS No.: 56124-62-0
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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.
Valrubicin is a chemotherapy agent that inhibits TPA- and PDBu-induced PKC activation with IC50 values of 0.85 and 1.25 μM, respectively. It has anticancer and anti-inflammatory properties.
Synonyms: AD-32; NSC 246131; Valrubicin, Valstar, Valtaxin, AD 32, AD32, AD-32
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CAS No. : | 56124-62-0 |
Formula : | C34H36F3NO13 |
M.W : | 723.64 |
SMILES Code : | CCCCC(OCC([C@]1(O)CC2=C(C(O)=C3C(C4=C(C(C3=C2O)=O)C=CC=C4OC)=O)[C@@H](O[C@H]5C[C@H](NC(C(F)(F)F)=O)[C@H](O)[C@H](C)O5)C1)=O)=O |
Synonyms : |
AD-32; NSC 246131; Valrubicin, Valstar, Valtaxin, AD 32, AD32, AD-32
|
MDL No. : | MFCD01939322 |
InChI Key : | ZOCKGBMQLCSHFP-KQRAQHLDSA-N |
Pubchem ID : | 454216 |
GHS Pictogram: |
![]() ![]() |
Signal Word: | Danger |
Hazard Statements: | H302-H340-H350-H360 |
Precautionary Statements: | P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501 |
Class: | 6.1 |
UN#: | 2811 |
Packing Group: | Ⅲ |
Clinical Trial:
NCT Number | Conditions | Phases | Recruitment | Completion Date | Locations |
NCT02256098 | Osteoarthritis Arthritis ... More >> Joint Diseases Musculoskeletal Diseases Rheumatic Diseases Less << | Not Applicable | Completed | - | Netherlands ... More >> Medisch Centrum Haaglanden Den Haag, Netherlands, 2501CK Leiden University Medical Center Leiden, Netherlands, 2300RC Less << |
NCT02269254 | Osteoarthritis Arthritis ... More >> Joint Diseases Musculoskeletal Diseases Rheumatic Diseases Less << | Not Applicable | Enrolling by invitation | February 2019 | Netherlands ... More >> Leiden University Medical Center Leiden, Netherlands, 2300RC Less << |
NCT00003759 | Bladder Cancer | Phase 2 | Completed | - | United States, Texas ... More >> University of Texas - MD Anderson Cancer Center Houston, Texas, United States, 77030-4009 Less << |
NCT02930811 | Peripheral Arterial Occlusive ... More >>Disease Less << | Phase 3 | Withdrawn(The Investigator-Coo... More >>rdinator has moved to Rennes University Hospital. It will be done under the sponsor of Rennes University Hospital NCT03686306) Less << | - | - |
NCT00003725 | Bladder Cancer | Phase 3 | Unknown | - | - |
NCT03101007 | Osteoarthritis Arthritis ... More >> Joint Disease Musculoskeletal Disease Less << | Not Applicable | Recruiting | July 2020 | Netherlands ... More >> Spaarne Gasthuis Recruiting Hoofddorp, Netherlands, 2130AT Contact: Jeanette Verhart +31232241673 jverhart@spaarnegasthuis.nl Leiden University Medical Center Not yet recruiting Leiden, Netherlands, 2300RC Contact: Bart L Kaptein, PhD MSc +3175264542 B.L.Kaptein@lumc.nl Less << |
NCT01304173 | - | Completed | - | United States, Tennessee ... More >> Vanderbilt University Nashville, Tennessee, United States Less << | |
NCT00003129 | Bladder Cancer | Phase 2 | Completed | - | United States, Florida ... More >> H. Lee Moffitt Cancer Center and Research Institute Tampa, Florida, United States, 33612-9497 United States, Illinois CCOP - Carle Cancer Center Urbana, Illinois, United States, 61801 United States, New Jersey Veterans Affairs Medical Center - East Orange East Orange, New Jersey, United States, 07018-1095 United States, Pennsylvania Fox Chase Cancer Center Philadelphia, Pennsylvania, United States, 19111 CCOP - MainLine Health Wynnewood, Pennsylvania, United States, 19096 United States, Wisconsin CCOP - Green Bay Green Bay, Wisconsin, United States, 54301 Veterans Affairs Medical Center - Madison Madison, Wisconsin, United States, 53705 University of Wisconsin Comprehensive Cancer Center Madison, Wisconsin, United States, 53792-6164 Medical College of Wisconsin Milwaukee, Wisconsin, United States, 53226 Veterans Affairs Medical Center - Milwaukee (Zablocki) Milwaukee, Wisconsin, United States, 53295 Less << |
NCT01606345 | Urothelial Carcinoma | PHASE1 | COMPLETED | 2025-04-16 | H. Lee Moffitt Cancer Center a... More >>nd Research Institute, Tampa, Florida, 33612, United States Less << |
NCT01316874 | Carcinoma in Situ ... More >> Bladder Cancer Less << | Phase 2 Phase 3 | Completed | - | - |
NCT01314664 | - | Terminated(Business decision, ... More >>not safety related) Less << | - | United States, Arizona ... More >> BCG Oncology Phoenix, Arizona, United States, 85032 United States, Florida Urology Research Network Hialeah, Florida, United States, 33149 Advanced Urology Association of Florida Vero Beach, Florida, United States, 32960 United States, Kansas Kansas City Urology Care Overland Park, Kansas, United States, 66211 United States, New Jersey Delaware Valley Urology Sewell, New Jersey, United States, 08080 Delaware Valley Urology Voorhees, New Jersey, United States, 08043 United States, New York Long Island Urological Associates Bethpage, New York, United States, 11714 United States, Pennsylvania Urologic Consultants of SE PA Bala-Cynwyd, Pennsylvania, United States, 19004 United States, Tennessee Vanderbilt University Medical Center Nashville, Tennessee, United States, 37232 United States, Texas Urology Associates of North Texas Arlington, Texas, United States, 76017 Urology Clinics of North Texas Dallas, Texas, United States, 75231 Less << | |
NCT01438112 | Transitional Cell Carcinoma ... More >> Bladder Cancer Carcinoma in Situ Carcinoma in Situ Concurrent With Papillary Tumors Less << | Phase 2 Phase 3 | Terminated(Change in study des... More >>ign) Less << | June 2019 | United States, Arizona ... More >> BCG Oncology Phoenix, Arizona, United States, 85032-2129 United States, California University of California, San Diego- Moores Cancer Center La Jolla, California, United States, 92093 UCLA Institute of Urological Oncology Los Angeles, California, United States, 90024 University of California, Davis- Cancer Center Sacramento, California, United States, 95817 United States, Illinois University of Chicago, Department of Surgery, Section of Urology Chicago, Illinois, United States, 60637 United States, North Carolina Wake Forest University Health Sciences Winston-Salem, North Carolina, United States, 27157 United States, Tennessee Vanderbilt University Medical Center Department of Urologic Surgery Nashville, Tennessee, United States, 37232 Less << |
NCT01310803 | Carcinoma in Situ ... More >> Transitional Cell Carcinoma Non-muscle Invasive Bladder Cancer Less << | Phase 3 | Terminated | - | United States, Arizona ... More >> BCG Oncology Phoenix, Arizona, United States, 85032 United States, Colorado The Urology Center of Colorado Denver, Colorado, United States, 80211 United States, Maryland Urology Associates Cumberland, Maryland, United States, 21502 United States, New Jersey Delaware Valley Urology Sewell, New Jersey, United States, 08080 United States, New York Associated Medical Professionals of New York Syracuse, New York, United States, 13210 United States, Pennsylvania Urologic Consultants of SE PA Bala-Cynwyd, Pennsylvania, United States, 19004 Less << |
NCT01310803 | - | Terminated | - | - |
Bio Calculators | ||||
Preparing Stock Solutions | ![]() |
1mg | 5mg | 10mg |
1 mM 5 mM 10 mM |
1.38mL 0.28mL 0.14mL |
6.91mL 1.38mL 0.69mL |
13.82mL 2.76mL 1.38mL |
Tags: Valrubicin | AD-32 | Tetrahydropyrans | Ethers | Alcohols | Topoisomerase | Organic Building Blocks | DNA Damage | Tumor Epigenetics and Gene Regulation | Cell Cycle | Heterocyclic Building Blocks | 56124-62-0
Precautionary Statements-General | |
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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. |
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P243 | Take precautionary measures against static discharge. |
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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. |
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P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
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P322 | |
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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 | |
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P502 | Refer to manufacturer/supplier for information on recovery/recycling |
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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 |
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H224 | Extremely flammable liquid and vapour |
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H228 | Flammable solid |
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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 |
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H290 | May be corrosive to metals |
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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 |
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H350 | May cause cancer |
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H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
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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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