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AT406 (SM-406) - ≥98%, high purity , CAS No.1071992-99-8, Antagonist of baculoviral IAP repeat containing 2;Antagonist of baculoviral IAP repeat containing 3;Antagonist of X-linked inhibitor of apoptosis

Moligand™
≥98%

CAS#: 1071992-99-8
Formula: C₃₂H₄₃N₅O₄
Molecular Weight: 561.71
PubChem CID: 25022340

Item Number

A126412

Grouped product items
SKU	Size	Availability	Price
A126412-5mg	5mg	In stock	$97.90
A126412-10mg	10mg	In stock	$162.90
A126412-25mg	25mg	In stock	$366.90
A126412-50mg	50mg	In stock	$706.90
A126412-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,272.90

View related series

baculoviral IAP repeat containing 2 Antagonist baculoviral IAP repeat containing 3 Antagonist X-linked inhibitor of apoptosis Antagonist

Basic Description

Synonyms	1071992-99-8\|AT-406\|Debio-1143\|N65WC8PXDD\|SM-406\|UNII-N65WC8PXDD\|Xevinapant\|AT406\|(5S,8S,10aR)-N-benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide\|Debio 1143\|QCR-136\|AT 406\|Debio114
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	AT-406 (formerly known as SM-406) is an orally bioavailable potent IAP (inhibitor of apoptosis protein) of XIAP, cIAP1, and cIAP2 with Ki of 66.4 nM, 1.9 nM, and 5.1 nM, respectively. This may restore and promote the induction of apoptosi
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of baculoviral IAP repeat containing 2;Antagonist of baculoviral IAP repeat containing 3;Antagonist of X-linked inhibitor of apoptosis

Associated Targets

BRD4 Tchem Bromodomain-containing protein 4 0 Activities

Discover Target: BRD4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CDK2 Tchem Cyclin-dependent kinase 2 0 Activities

Discover Target: CDK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FGFR3 Tclin Fibroblast growth factor receptor 3 0 Activities

Discover Target: FGFR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CSNK1D Tchem Casein kinase I isoform delta 0 Activities

Discover Target: CSNK1D

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRIM24 Tchem Transcription intermediary factor 1-alpha 0 Activities

Discover Target: TRIM24

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BRPF1 Tchem Peregrin 0 Activities

Discover Target: BRPF1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 5 Activities

Discover Target: BIRC2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 5 Activities

Discover Target: BIRC3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AURKA Tchem Aurora kinase A 0 Activities

Discover Target: AURKA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

XIAP Tchem E3 ubiquitin-protein ligase XIAP 6 Activities

Discover Target: XIAP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL1 0 Activities

Discover Target: ABL1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GSK3B Tclin Glycogen synthase kinase-3 beta 0 Activities

Discover Target: GSK3B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 0 Activities

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAPK1 Tchem Mitogen-activated protein kinase 1 0 Activities

Discover Target: MAPK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

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
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
InChi Key	LSXUTRRVVSPWDZ-MKKUMYSQSA-N
Canonical SMILES	CC(C)CC(=O)N1CCC2CCC(N2C(=O)C(C1)NC(=O)C(C)NC)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4
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
PubChem CID	25022340
Molecular Weight	561.71

ChEMBL Ligand

CHEMBL2158051

CAS Registry No.

1071992-99-8

PubChem CID

25022340

Certificates

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5 results found

Lot Number	Certificate Type	Date	Item
L2117091	Certificate of Analysis	Oct 08, 2023	A126412
L2117092	Certificate of Analysis	Oct 08, 2023	A126412
L2117093	Certificate of Analysis	Oct 08, 2023	A126412
L2117182	Certificate of Analysis	Oct 08, 2023	A126412
L2117183	Certificate of Analysis	Oct 08, 2023	A126412

References

1. Petersen SL, Wang L, Yalcin-Chin A, Li L, Peyton M, Minna J, Harran P, Wang X. (2007) Autocrine TNFalpha signaling renders human cancer cells susceptible to Smac-mimetic-induced apoptosis.. Cancer Cell, 12 (5): (445-56). [PMID:17996648]
2. Wu H, Tschopp J, Lin SC. (2007) Smac mimetics and TNFalpha: a dangerous liaison?. Cell, 131 (4): (655-8). [PMID:18022360]

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