[ CAS No. 86895-14-9 ] {[proInfo.proName]}

Name: 86895-14-9|N-Fmoc-glycyl-L-valine|98%
Brand: Ambeed
SKU: A926229
Rating: 94 (30 reviews)

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Cat. No.: {[proInfo.prAm]}

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Type	HazMat fee for 500 gram (Estimated)
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Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

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Quality Control of [ 86895-14-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 86895-14-9 ]

SDS Specification

Alternatived Products of [ 86895-14-9 ]

Product Details of [ 86895-14-9 ]

CAS No. :	86895-14-9	MDL No. :	MFCD18427309
Formula :	C₂₂H₂₄N₂O₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ORVHFHUXDLSLMX-FQEVSTJZSA-N
M.W :	396.44	Pubchem ID :	7019073
Synonyms :

Calculated chemistry of [ 86895-14-9 ]

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.32
Num. rotatable bonds :	10
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	107.4
TPSA :	104.73 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.33 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.98
Log Po/w (XLOGP3) :	3.36
Log Po/w (WLOGP) :	2.75
Log Po/w (MLOGP) :	1.94
Log Po/w (SILICOS-IT) :	2.75
Consensus Log Po/w :	2.76

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-4.06
Solubility :	0.0345 mg/ml ; 0.0000869 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.24
Solubility :	0.0023 mg/ml ; 0.00000579 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.68
Solubility :	0.000834 mg/ml ; 0.0000021 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.95

Safety of [ 86895-14-9 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P264-P270-P273-P280-P301+P312+P330-P302+P352+P312-P305+P351+P338+P310-P332+P313-P391-P501	UN#:	3077
Hazard Statements:	H302+H312-H315-H318-H411	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 86895-14-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 86895-14-9 ]

[ 86895-14-9 ] Synthesis Path-Downstream 1~21

1
[ 17831-01-5 ]
[ 86895-14-9 ]
[ 159922-57-3 ]

Yield	Reaction Conditions	Operation in experiment
88%	With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline In dichloromethane Ambient temperature;

Reference： [1]Nakahara, Yoshiaki; Iijima, Hiroyuki; Ogawa, Tomoya [Tetrahedron Letters, 1994, vol. 35, # 20, p. 3321 - 3324]

2
[ 159922-56-2 ]
[ 86895-14-9 ]

Yield	Reaction Conditions	Operation in experiment
99%	With trifluoroacetic acid In dichloromethane for 20h; Ambient temperature;

Reference： [1]Nakahara, Yoshiaki; Iijima, Hiroyuki; Ogawa, Tomoya [Tetrahedron Letters, 1994, vol. 35, # 20, p. 3321 - 3324]

3
[ 13211-31-9 ]
[ 86895-14-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 96 percent / EEDQ / CH₂Cl₂ / Ambient temperature 2: 99 percent / 80percent CF₃CO₂H / CH₂Cl₂ / 20 h / Ambient temperature

Reference： [1]Nakahara, Yoshiaki; Iijima, Hiroyuki; Ogawa, Tomoya [Tetrahedron Letters, 1994, vol. 35, # 20, p. 3321 - 3324]

4
[ 29022-11-5 ]
[ 86895-14-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 96 percent / EEDQ / CH₂Cl₂ / Ambient temperature 2: 99 percent / 80percent CF₃CO₂H / CH₂Cl₂ / 20 h / Ambient temperature
	Multi-step reaction with 3 steps 1: thionyl chloride / dichloromethane / 20 °C / Inert atmosphere; Sonication 2: zinc / tetrahydrofuran / 20 °C 3: water; calcium chloride; sodium hydroxide / isopropyl alcohol

Reference： [1]Nakahara, Yoshiaki; Iijima, Hiroyuki; Ogawa, Tomoya [Tetrahedron Letters, 1994, vol. 35, # 20, p. 3321 - 3324]
[2]Ramesh; Raju; Srinivas; Sureshbabu; Vishwanatha; Hemantha [Rapid Communications in Mass Spectrometry, 2011, vol. 25, # 14, p. 1949 - 1958]

5
[ 86895-14-9 ]
[ 159922-58-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 88 percent / EEDQ / CH₂Cl₂ / Ambient temperature 2: 90 percent / morpholine / Ambient temperature

Reference： [1]Nakahara, Yoshiaki; Iijima, Hiroyuki; Ogawa, Tomoya [Tetrahedron Letters, 1994, vol. 35, # 20, p. 3321 - 3324]

Yield	Reaction Conditions	Operation in experiment
90%		11 N-(9-fluorenylmethoxycarbonyl)glycyl-L-valine N-(9-fluorenylmethoxycarbonyl)glycyl-L-valine Yield: 90%, m.p.: 69°-71° C., [α]D22 =-0.5 (c=1.0; CH3 OH).

7
[ 7364-44-5 ]
C₂₂H₂₃NO₆ [ No CAS ]
[ 86895-14-9 ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; dichloromethane for 4h;

Reference： [1]Sureshbabu, Vommina V.; Venkataramanarao, Rao [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 6, p. 910 - 919]

8
[ 86895-14-9 ]
[ 543-27-1 ]
C₂₇H₃₂N₂O₇ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 4-methyl-morpholine In tetrahydrofuran at -10℃; for 0.0833333h;

Reference： [1]Sureshbabu, Vommina V.; Venkataramanarao, Rao [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 6, p. 910 - 919]

9
[ 103321-49-9 ]
[ 86895-14-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: zinc / tetrahydrofuran / 20 °C 2: water; calcium chloride; sodium hydroxide / isopropyl alcohol

Reference： [1]Ramesh; Raju; Srinivas; Sureshbabu; Vishwanatha; Hemantha [Rapid Communications in Mass Spectrometry, 2011, vol. 25, # 14, p. 1949 - 1958]

10
Fmoc-Gly-Val-OMe [ No CAS ]
[ 86895-14-9 ]

Yield	Reaction Conditions	Operation in experiment
	With water; calcium chloride; sodium hydroxide In isopropyl alcohol

Reference： [1]Location in patent: experimental part Ramesh; Raju; Srinivas; Sureshbabu; Vishwanatha; Hemantha [Rapid Communications in Mass Spectrometry, 2011, vol. 25, # 14, p. 1949 - 1958]

11
Fmoc-Gly-Val-Oxd-Phe-Ala-Gly-NH<SUB>2</SUB> [ No CAS ]
Oxd-Phe-Ala-Gly-NH<SUB>2</SUB> [ No CAS ]
[ 86895-14-9 ]

Yield	Reaction Conditions	Operation in experiment
	In aq. phosphate buffer at 37℃; for 48h;

Reference： [1]Elashal, Hader E.; Raj, Monika [Chemical Communications, 2016, vol. 52, # 37, p. 6304 - 6307]

12
[ 86895-14-9 ]
C₂₇H₄₃N₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / 20 °C 2: piperidine / ethyl acetate / 0.5 h / 20 °C

Reference： [1]Yu, Guanping; Gao, Song-Qi; Dong, Zhiqian; Sheng, Li; Sun, Da; Zhang, Ning; Zhang, Jianye; Margeivicus, Seunghee; Fu, Pingfu; Golczak, Marcin; Maeda, Akiko; Palczewski, Krzysztof; Lu, Zheng-Rong [Bioconjugate Chemistry, 2021, vol. 32, # 3, p. 572 - 583]

13
[ 86895-14-9 ]
C₄₇H₆₉N₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / 20 °C 2: piperidine / ethyl acetate / 0.5 h / 20 °C 3: ethanol / 20 °C

14
[ 1141776-83-1 ]
[ 86895-14-9 ]
C₃₈H₄₇N₃O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20℃;

15
[ 1141776-83-1 ]
[ 86895-14-9 ]
C₂₃H₃₇N₃O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / 20 °C 2: piperidine / ethyl acetate / 0.5 h / 20 °C

16
retinal amine [ No CAS ]
[ 86895-14-9 ]
C₄₂H₅₃N₃O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20℃;

17
[ 86895-14-9 ]
(8S,11S)-1-(9H-fluoren-9-yl)-8-isopropyl-3,6,9-trioxo-11-(3-ureidopropyl)-2-oxa-4,7,10-triazadodecan-12-oic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 3 h / 0 - 20 °C / Inert atmosphere 2: sodium hydrogencarbonate / water; acetonitrile / 18 h / 20 °C / Inert atmosphere

Reference： [1]Balamkundu, Seetharamsing; Hu, Side; Lescar, Julien; Liu, Chuan-Fa; Tam, James P.; To, Janet; Wang, Zhen; Zhang, Dingpeng; Zhang, Xiaohong [Journal of the American Chemical Society, 2021, vol. 143, # 23, p. 8704 - 8712]

18
[ 86895-14-9 ]
(9H-fluoren-9-yl)methyl (2-(((S)-3-methyl-1-(((S)-1-((4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-1-oxobutan-2-yl)amino)-2-oxoethyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 3 h / 0 - 20 °C / Inert atmosphere 2: sodium hydrogencarbonate / water; acetonitrile / 18 h / 20 °C / Inert atmosphere 3: N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline / methanol / 20 °C / Darkness 4: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 18 h / 20 °C

19
[ 86895-14-9 ]
C₆₃H₆₉N₇O₁₉ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 3 h / 0 - 20 °C / Inert atmosphere 2: sodium hydrogencarbonate / water; acetonitrile / 18 h / 20 °C / Inert atmosphere 3: N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline / methanol / 20 °C / Darkness 4: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 18 h / 20 °C 5: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

20
[ 86895-14-9 ]
C₃₅H₄₂N₆O₇ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 3 h / 0 - 20 °C / Inert atmosphere 2: sodium hydrogencarbonate / water; acetonitrile / 18 h / 20 °C / Inert atmosphere 3: N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline / methanol / 20 °C / Darkness

21
[ 6066-82-6 ]
[ 86895-14-9 ]
C₂₆H₂₇N₃O₇ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 0 - 20℃; for 3h; Inert atmosphere;

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[ 86895-14-9 ]

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P280	Wear protective gloves/protective clothing/eye protection/face protection.
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Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
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P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
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P320
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P321
P322
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P342	If experiencing respiratory symptoms:
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P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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P370	In case of fire:
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Storage
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Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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

[ CAS No. 86895-14-9 ] {[proInfo.proName]}

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[ 86895-14-9 ] Synthesis Path-Downstream 1~21

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[ 86895-14-9 ]