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SM-164 - 98%, high purity , CAS No.957135-43-2

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
S413709
Grouped product items
SKU Size
Availability
 Price Qty
S413709-1mg
1mg
3
$112.90
S413709-5mg
5mg
3
$269.90
S413709-10mg
10mg
2
$419.90
S413709-25mg
25mg
1
$679.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

XIAP Selective Inhibitors | Antagonists

View related series
Apoptosis (4276) IAP (40) Intrinsic Pathway (690)

Basic Description

Synonyms AC-35485 | SM164 | SM-164 | MS-31985 | SCHEMBL9973411 | (3S,6S,10aS)-N-[(S)-(1-{4-[4-(4-{4-[(S)-{[(3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocin-3-yl]formamido}(phenyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phenyl]butyl}
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms SM-164 is a potent, non-peptide, cell-permeable antagonist of XIAP that targets both the BIR2 and BIR3 domains with IC50 of 1.39 nM. SM-164 induces apoptosis and tumor regression.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Amino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct Parent Cyclic peptides
Alternative Parents N-acyl-alpha amino acids and derivatives  Alpha amino acid amides  Phenylbutylamines  Alanine and derivatives  Pyrrolidinecarboxamides  Triazoles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Dialkylamines  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Cyclic alpha peptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Phenylbutylamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Benzenoid - 1,2,3-triazole - Pyrrolidine - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description This 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

Associated Targets(Human)

BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 (4 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
XIAP Tchem E3 ubiquitin-protein ligase XIAP (11 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
XIAP Tchem Inhibitor of apoptosis protein 3 (3673 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SK-OV-3 (52876 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IGROV-1 (47897 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 (320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (984 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (3S,6S,10aS)-N-[(S)-[1-[4-[4-[4-[4-[(S)-[[(3S,6S,10aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]butyl]phenyl]butyl]triazol-4-yl]-phenylmethyl]-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
INCHI InChI=1S/C62H84N14O6/c1-41(63-3)57(77)65-49-27-13-11-25-47-33-35-53(75(47)61(49)81)59(79)67-55(45-21-7-5-8-22-45)51-39-73(71-69-51)37-17-15-19-43-29-31-44(32-30-43)20-16-18-38-74-40-52(70-72-74)56(46-23-9-6-10-24-46)68-60(80)54-36-34-48-26-12-14-28-50(62(82)76(48)54)66-58(78)42(2)64-4/h5-10,21-24,29-32,39-42,47-50,53-56,63-64H,11-20,25-28,33-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t41-,42-,47-,48-,49-,50-,53-,54-,55-,56-/m0/s1
InChIKey LGYDZXNSSLRFJS-IOQQVAQYSA-N
Smiles CC(C(=O)NC1CCCCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)C(C7=CC=CC=C7)NC(=O)C8CCC9N8C(=O)C(CCCC9)NC(=O)C(C)NC)NC
Isomeric SMILES C[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)[C@H](C7=CC=CC=C7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H](CCCC9)NC(=O)[C@H](C)NC)NC
PubChem CID 17756618
Molecular Weight 1121.42

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number Certificate Type Date Item
B2427196 Certificate of Analysis Jan 20, 2024 S413709
B2427191 Certificate of Analysis Jan 20, 2024 S413709
B2427192 Certificate of Analysis Jan 20, 2024 S413709
B2427193 Certificate of Analysis Jan 20, 2024 S413709
B2427195 Certificate of Analysis Jan 20, 2024 S413709
B2427197 Certificate of Analysis Jan 20, 2024 S413709
B2427198 Certificate of Analysis Jan 20, 2024 S413709
B2427194 Certificate of Analysis Jan 20, 2024 S413709

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 3 mg/mL (2.67 mM); Water: Insoluble; Ethanol: Insoluble;
Molecular Weight 1121.400 g/mol
XLogP3 5.800
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 24
Exact Mass 1120.67 Da
Monoisotopic Mass 1120.67 Da
Topological Polar Surface Area 243.000 Ų
Heavy Atom Count 82
Formal Charge 0
Complexity 1930.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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

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