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Screening compounds

Xevinapant

Also known as Debio 1143, Debio-1143, Iap inhibitor AT-406

CAS 1071992-99-8Formula C32H43N5O4Molar mass 561.73 g/mol
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Xevinapant chemical structure, C32H43N5O4, CAS 1071992-99-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1071992-99-8
Formula
C32H43N5O4
Molar mass
561.73 g/mol
HS code
293379
Category
Screening compounds

What is Xevinapant?

Plain description, key identifiers and synonyms

Xevinapant is an orally available mimetic of the natural second mitochondrial-derived activator of caspases (Smac) and inhibitor of Inhibitor of Apoptosis Proteins (IAPs), with potential immunomodulating, apoptotic-inducing, chemo-radio-sensitizing and antineoplastic activities. Upon oral administration,xevinapant targets and binds to the Smac binding groove on IAPs, including the direct caspase inhibitor X chromosome-linked IAP (XIAP), and the cellular IAPs 1 (c-IAP1) and 2 (c-IAP2). This inhibits the activities of these IAPs and promotes the induction of apoptosis. Additionally, as xevinapant inhibits the activity of IAPs, it may work synergistically with cytotoxic drugs and/or radiation to overcome tumor cell resistance to apoptosis.

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As IAPs regulate nuclear factor-kappa B (NFkB) signaling pathways, which drives the expression of genes involved in immune and inflammatory responses, xevinapant may enhance anti-tumor immune responses when administered with certain immunomodulating agents, such as immune checkpoint inhibitors. IAPs are overexpressed by many cancer cell types and suppress both intrinsic and extrinsic apoptosis by binding to and inhibiting active caspases via their baculoviral lAP repeat (BIR) domains. They contribute to chemo-radio-resistance of cancer cells to certain cytotoxic agents and radiation, promote tumor cell survival and are associated with poor prognosis in certain types of cancer.

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
1071992-99-8 CAS number cross-checked
Molecular formula
C32H43N5O4
UNII
N65WC8PXDD
MDL number
MFCD22124467
InChIKey
LSXUTRRVVSPWDZ-MKKUMYSQSA-N
InChI
InChI=1S/C32H43N5O4/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)/t22-,25+,26-,27-/m0/s1
Canonical SMILES
CNC(C)C(=O)NC1CN(C(=O)CC(C)C)CCC2CCC(C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
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

Synonyms

  • Debio 1143
  • Debio-1143
  • Iap inhibitor AT-406
  • (5S,8S,10aR)-N-(diphenylmethyl)-5-((2S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo(1,2-a)(1,5)diazocine-8-carboxamide
  • (5S,8S,10aR)-N-(diphenylmethyl)-5-[(2S)-2-(methylamino)propanamido]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
  • SMAC Mimetic Debio 1143
  • IAPs Inhibitor Debio 1143
  • IAPs Antagonist Debio 1143
  • Second Mitochondrial-derived Activator of Caspases Mimetic Debio 1143
  • Debio1143
  • (5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
  • SM 406
  • AT-406(AT406)
  • AT406 (SM-406)
  • AT 406
  • DeBio-1143 (AT-406)
  • (5S,8S,10aR)-N-(Diphenylmethyl)decahydro-5-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocine-8-carboxamide
  • (5S,8S,10aR)-N-(Diphenylmethyl)decahydro-5-(((2S)-2-(methylamino)-1-oxopropyl)amino)-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo(1,2-a)(1,5)diazocine-8-carboxamide
  • 1071992-99-8 (free base)
  • AT-406Xevinapant?
  • Xevinapant (JAN/USAN/INN)
  • (5S,8S,10aR)-N-(diphenylmethyl)-5-[(2S)-2-(methylamino)propanamido]-3-(3-methylbutanoyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
  • (5S,8S,10aR)-N-(Diphenylmethyl)-5-[(N-methyl-L-alanyl)amino]-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
  • AT406 (SM-406, ARRY-334543)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
561.73 g/molcalc.
Exact mass
561.3315 Dacalc.
LogP (octanol/water)
2.62calc.
Topological polar surface area
110.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
9calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(NC(c1ccccc1)c1ccccc1)C1CCC2CCNCCC(=O)N21

O=C(NC(c1ccccc1)c1ccccc1)C1CCC2CCNCCC(=O)N21

4 rings, 28 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Xevinapant suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers
  • Axon Medchem
    United States, RestonUnclaimed profile
    XevinapantGrade, purity and minimum order on request
    Price on request
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  • BroadPharm
    United States, San DiegoUnclaimed profile
    XevinapantGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

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2 suppliers in 1 country

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Xevinapant price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Xevinapant is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Xevinapant is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Xevinapant, based on the data on this page

What is Xevinapant?

Xevinapant is an orally available mimetic of the natural second mitochondrial-derived activator of caspases (Smac) and inhibitor of Inhibitor of Apoptosis Proteins (IAPs), with potential immunomodulating, apoptotic-inducing, chemo-radio-sensitizing and antineoplastic activities.

What is the CAS number of Xevinapant?

The CAS registry number of Xevinapant is 1071992-99-8.

What is the molecular formula and weight of Xevinapant?

The molecular formula of Xevinapant is C32H43N5O4 and its molar mass is 561.73 g/mol.

What is Xevinapant used for?

Known uses and roles of Xevinapant include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Xevinapant hazardous?

No GHS hazard classification for Xevinapant is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Xevinapant?

Xevinapant is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xevinapant?

CompoundList lists 2 suppliers of Xevinapant in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Xevinapant?

Suppliers quote Xevinapant on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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