Birinapant - Moligand™, 10mM in DMSO , cIAP1/cIAP2 inhibitor, CAS No.1260251-31-7, cIAP1/cIAP2 inhibitor

Name: Birinapant - Moligand™, 10mM in DMSO , cIAP1/cIAP2 inhibitor, CAS No.1260251-31-7, cIAP1/cIAP2 inhibitor
SKU: B421093
Availability: InStock

CAS: 1260251-31-7 Cat. No.: B421093 分子式: C₄₂H₅₆F₂N₈O₆ 分子量: 806.94

COA

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Birinapant - Moligand™, 10mM in DMSO CAS No(1260251-31-7) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? 10mM in DMSO

Synonyms

2,2-dimethyl-3-hydroxypropyl 2,2-dimethyl-3-hydroxypropionate | NSC767128 | NSC-767128 | D10417 | HY-16591 | (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]me

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質よくある質問と記事ソリューション計算機レビュー

🧪

Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

Potent antagonist for cIAP1 (Kd <1 nM) and XIAP (Kd\xa0= 45 nM). Not only binds to the isolated BIR3 domains of cIAP1, cIAP2, XIAP but the single BIR domain of ML-IAP with high affinity and degrades TRAF2-bound cIAP1 and cIAP2 rapidly accordingly inhibiti

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST, INHIBITOR

作用メカニズム

cIAP1/cIAP2 inhibitor

製品の性質

ALogP

3.3

名前と識別子

パブケム・シド

528763581

カノニカル・スマイル

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

IUPAC Name

(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

InChIKey

PKWRMUKBEYJEIX-DXXQBUJASA-N

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

異性体SMILES

CC[C@@H](C(=O)N1C[C@H](C[C@H]1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)O)NC(=O)[C@H](C)NC

分子量

806.94

Reaxy-Rn

36938234

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36938234&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - 分類 Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
分類	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives 3-alkylindoles N-acylpyrrolidines Substituted pyrroles Aryl fluorides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - N-acylpyrrolidine - Aryl fluoride - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

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レビュー

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分子量	806.900 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Exact Mass	806.429 Da
Monoisotopic Mass	806.429 Da
Topological Polar Surface Area	195.000 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1350.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1