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BI-0474 , CAS No.B608041, Inhibitor of KRAS

Item Number
B608041
Grouped product items
SKUSizeAvailabilityPrice Qty
B608041-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,334.90
B608041-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,400.90
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KRAS Inhibitor (12)

Basic Description

SynonymsBI 0474;BI0474;compound 23
Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of KRAS

AI Insight

Associated Targets(Human)

KRAS Tclin GTPase KRas (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NCI-H358 (882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KRAS Tclin GTPase KRas (1864 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

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Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (4S)-2-amino-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
INCHI InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1
InChi Key CKAMBYUZKWQCKJ-ADSBAMQRSA-N
Canonical SMILES C[C@H]1CN(C)CCN1c1nc(cc(c1)N1CCN(CC1)C(=O)C=C)c1noc(n1)[C@@]1(C)CCCc2c1c(C#N)c(N)s2
Isomeric SMILES C[C@H]1CN(CCN1C2=CC(=CC(=N2)C3=NOC(=N3)[C@]4(CCCC5=C4C(=C(S5)N)C#N)C)N6CCN(CC6)C(=O)C=C)C
PubChem CID 165416585

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

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

Related Documents

 SDS

 Specification Sheet

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References

1. Bröker J, Waterson AG, Smethurst C, Kessler D, Böttcher J, Mayer M, Gmaschitz G, Phan J, Little A, Abbott JR et al..  (2022)  Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRASG12C Inhibitor..  J Med Chem,  65  (21): (14614-14629).  [PMID:36300829] [10.1021/op500134e]

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