Birabresib | CAS No. 202590-98-5

Birabresib

Basic Information

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CAS Number

202590-98-5

Molecular Formula

C25H22ClN5O2S

Molecular Weight

492 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1

InChIKey

GNMUEVRJHCWKTO-FQEVSTJZSA-N

LogP

5.533960000000005

Topological Polar Surface Area

92.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

770

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

OTX015
OTX-015
(S)-2-(4-(4-Chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]-triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetaMide
(S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-
MK 8628
MK-8628
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-
birabresib
OTX 015
X40LKS49S3
6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-
2-[(6S)-4-(4-chlorophenyl)-2,3,
Birabresib
OTX015 (Birabresib)
UNII-X40LKS49S3
OTX015 ANHYDROUS
C25H22ClN5O2S
(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide.
Birabresib [USAN]
(S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide
HY-15743
6JE
MK-8628;Birabresib
GLXC-02540
s7360
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide
(S)-N-(4-hydroxyphenyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
CCG-264724
2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f]-[1, 2, 4] triazolo [4,3-a] [1, 4] diazepin-6-yl]-N-(4-hydroxyphenyl)-acetamide dehydrate
GNMUEVRJHCWKTO-FQEVSTJZSA-N

MDL Number

MFCD26960949

FAQ

What regulatory guidelines apply to Birabresib (CAS: 202590-98-5)?

Birabresib (CAS: 202590-98-5) is subject to various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations in Europe, and FDA and EPA requirements for safety and environmental protection. It is important to comply with these regulations to ensure safe handling and disposal.

Are there alternatives to Birabresib (CAS: 202590-98-5) in synthesis?

There are a few alternatives to Birabresib (CAS: 202590-98-5) in synthesis, including analogs and isomers. Common alternative reagents like biphenols and other amine-based compounds can be used as substitutes, depending on the specific reaction conditions and desired properties.

What is the market or research trend for Birabresib (CAS: 202590-98-5)?

Birabresib (CAS: 202590-98-5) is gaining research interest due to its potential as a therapeutic agent in cancer treatment. Market trends indicate a growing focus on its development and clinical trials. Research trends highlight the exploration of its mechanism of action and its efficacy in combination therapies.

How should waste containing Birabresib (CAS: 202590-98-5) be handled?

Waste containing Birabresib (CAS: 202590-98-5) should be collected and incinerated in accordance with local regulations. Professional waste disposal services should be utilized to ensure proper handling and environmentally safe disposal. It is crucial to follow safety precautions to prevent any potential exposure or environmental contamination.