Birinapant | CAS No. 1260251-31-7

Birinapant

Basic Information

View in Editor

CAS Number

1260251-31-7

Molecular Formula

C42H56F2N8O6

Molecular Weight

806.96 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

View in Editor

CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC

InChI

InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1

InChIKey

PKWRMUKBEYJEIX-DXXQBUJASA-N

LogP

2.608400000000004

Topological Polar Surface Area

194.92 Å²

Hydrogen Bond Donor/Acceptor

8 / 14

Complexity

1350

Synonyms & References

English

(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypy
Birinapant
TL32711
TL-32711
(2S,2'S)-N,N'-[(6,6'-Difluoro[2,2'-bi-1H-indole]-3,3'-diyl)bis[methylene[(2R,4S)-4-hydroxy-2,1-pyrrolidinediyl][(1S)-1-ethyl-2-oxo-2,1-ethanediyl]]]bis[2-(methylamino)-propanamide
Birinapant (TL32711)
TL 32711
6O4Z07B57R
(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
(2s,2's)-N,N'-[(6,6'-Difluoro-1h,1'h-2,2'-Biindole-3,3'-Diyl)bis{methanediyl[(2r,4s)-4-Hydroxypyrrolidine-2,1-Diyl][(2s)-1-Oxobutane-1,2-Diyl]}
Birinapant [USAN:INN]
SCHEMBL10049847
AKOS030526366
CHEBI:177705
GTPL7432
AS-17035
AC-32868
CS-1719
(2S,2'S)-N,N'-((2S,2'S)-((3S,3'S,5R,5'R)-5,5'-((6,6'-difluoro-1H,1'H-[2,2'-biindole]-3,3'-diyl)bis(methylene))bis(3-hydroxypyrrolidine-5,1-diyl))bis(1-oxobutane-2,1-diyl))bis(2-(methylamino)propanamide)
NSC-767128
Q27075298
BIRINAPANT [INN]
(2s,2's)-N,N'-[(6,6'-Difluoro-1h,1'h-2,2'-Biindole-3,3'-Diyl)bis{methanediyl[(2r,4s)-4-Hydroxypyrrolidine-2,1-Diyl][(2s)-1-Oxobutane-1,2-Diyl]}]bis[2-(Methylamino)propanamide]
Birinapant (TL32711)?
NSC767128
DB11782
PROPANAMIDE, N,N'-((6,6'-DIFLUORO(2,2'-BI-1H-INDOLE)-3,3'-DIYL)BIS(METHYLENE((2R,4S)-4-HYDROXY-2,1-PYRROLIDINEDIYL)((1S)-1-ETHYL-2-OXO-2,1-ETHANEDIYL)))BIS(2-(METHYLAMINO)-, (2S,2'S)-
UNII-6O4Z07B57R
N,N'-((6,6'-DIFLUORO(1H,1'H-2,2'-BIINDOLE)- 3,3'-DIYL)BIS(METHYLENE((2R,4S)-4-HYDROXYPYRROLIDINE-2,1-DIYL)((2S)-1- OXOBUTANE-1,2-DIYL) BIS((2S)-2-(METHYLAMINO)PROPANAMIDE)
MFCD25976869
BIRINAPANT [WHO-DD]

MDL Number

MFCD25976869

Customs Code

29339900

FAQ

What regulatory guidelines apply to Birinapant (CAS: 1260251-31-7)?

Birinapant (CAS: 1260251-31-7) is subject to regulatory guidelines under the Globally Harmonized System (GHS) for classification and labeling of chemicals. In the European Union, it is regulated under REACH, and in the United States, it is overseen by the FDA and EPA. Manufacturers and importers must comply with specific documentation, testing, and reporting requirements to ensure safety and environmental protection.

Are there alternatives to Birinapant (CAS: 1260251-31-7) in synthesis?

Several alternatives to Birinapant (CAS: 1260251-31-7) exist in synthesis, including other small molecule inhibitors of cystine-glutamate antiporter (CAT-1). Common alternatives include analogs with similar structural modifications and isomers, which can serve as effective substitutes depending on the specific application and desired biological activity.

What is the market or research trend for Birinapant (CAS: 1260251-31-7)?

The market for Birinapant (CAS: 1260251-31-7) is growing due to increasing interest in its potential as a therapeutic agent for various cancers. Research trends indicate a focus on its mechanism of action, efficacy in combination therapies, and further exploration of its role in modulating immune responses. The compound shows promise in preclinical studies and clinical trials, driving market demand and investment.

How should waste containing Birinapant (CAS: 1260251-31-7) be handled?

Waste containing Birinapant (CAS: 1260251-31-7) should be handled by collecting it in appropriate containers, ensuring it is sealed to prevent leaks. For small quantities, incineration or professional waste disposal services are recommended. Environmental protection measures include avoiding direct contact, ensuring proper labeling, and adhering to local and national regulations for hazardous waste disposal to minimize environmental impact.