Xevinapant hydrochloride - ≥98% , CAS No.1071992-57-8

CAS: 1071992-57-8 Cat. No.: X651542 Molecular Weight: 598.18 PubChem CID: 25022339
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AT-406 HCl | AT-406 hydrochloride;Debio 1143 hydrochloride;SM-406 hydrochloride | 73T1W2MF9C | Xevinapant HCl | UNII-73T1W2MF9C | 1071992-57-8 | Xevinapant Hydrochloride | EX-A1833 | Xevinapant (hydrochloride) | (5S,8S,10Ar)-N-benzhydryl-5-[[(2S)-2-(methy
Storage
Protected from light,Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
X651542-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$300.90
50mg
X651542-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,300.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Overview

Xevinapant (AT-406) hydrochloride is a potent and orally bioavailable Smac mimetic and an antagonist of the inhibitor of apoptosis proteins (IAPs) . Xevinapant hydrochloride binds to XIAP , cIAP1 , and cIAP2 proteins with K i s of 66.4, 1.9, and 5.1 nM, respectively. Xevinapant hydrochloride effectively antagonizes XIAP BIR3 protein in a cell-free functional assay, induces rapid degradation of cellular cIAP1 protein, and inhibits cancer cell growth in various human cancer cell lines. Xevinapant hydrochloride is highly effective in induction of apoptosis in xenograft tumors

In Vitro

Xevinapant (AT-406) hydrochloride potently inhibits cell growth in the MDA-MB-231 breast and SK-OV-3 ovarian cancer cell lines with IC 50 =144 nM and 142 nM, respectively.\nXevinapant (0-3 μM; 0-48 horus) hydrochloride effectively induces cell death in a time- and dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Xevinapant (AT-406) hydrochloride is very effective in inhibition of tumor growth in the MDA-MB-231 xenograft model, and has minimal toxicity to animals .\nXevinapant hydrochloride evaluated for its pharmacokinetic (PK) properties in mice, rats, non-human primates and dogs . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: SCID mice bearing MDA-MB-231 xenograft tumors Dosage: 30 and 100 mg/kg Administration: p.o.; 5 days a week for 2 weeks Result: Strongly inhibits tumor growth at 30 and 100 mg/kg and completely inhibits tumor growth during the treatment with 100 mg/kg.

Form:Solid

IC50& Target:cIAP1 1.9 nM (Ki) cIAP2 5.1 nM (Ki) XIAP 66.4 nM (Ki)

Specifications

Synonyms
AT-406 HCl | AT-406 hydrochloride;Debio 1143 hydrochloride;SM-406 hydrochloride | 73T1W2MF9C | Xevinapant HCl | UNII-73T1W2MF9C | 1071992-57-8 | Xevinapant Hydrochloride | EX-A1833 | Xevinapant (hydrochloride) | (5S, 8S, 10Ar)-N-benzhydryl-5-[[(2S)-2-(methy
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Xevinapant (AT-406) hydrochloride is a potent and orally bioavailable Smac mimetic and an antagonist of the inhibitor of apoptosis proteins (IAPs) . Xevinapant hydrochloride binds to XIAP , cIAP1 , and cIAP2 proteins with K i s of 66.4, 1.9, and 5.1 nM, r
Storage
Protected from light, Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(C)CC(=O)N1CCC2CCC(N2C(=O)C(C1)NC(=O)C(C)NC)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
IUPAC Name(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;hydrochloride
InChIKeyDBXTZCYPHKJCHF-ZZPLZQMBSA-N
INCHI1S/C32H43N5O4.ClH/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40);1H/t22-,25+,26-,27-;/m0./s1
Isomeric SMILES C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C)C)NC.Cl
Alternate CAS 1071992-57-8
PubChem CID 25022339
Molecular Weight 598.18

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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct ParentCyclic peptides
Alternative Parents N-acyl-alpha amino acids and derivatives  Diphenylmethanes  Alpha amino acid amides  Alanine and derivatives  Pyrrolidinecarboxamides  Tertiary carboxylic acid amides  Secondary carboxylic acid amides  Lactams  Dialkylamines  Azacyclic compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Cyclic alpha peptide - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Lactam - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 175 mg/mL (292.55 mM; Need ultrasonic)
Molecular Weight598.200 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass597.308 Da
Monoisotopic Mass597.308 Da
Topological Polar Surface Area111.000 Ų
Heavy Atom Count42
Formal Charge0
Complexity896.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

Customer Reviews

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