Skip to the beginning of the images gallery

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

PubChem CID: 165416585

Item Number

B608041

Grouped product items
SKU	Size	Availability	Price	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

View related series

KRAS Inhibitor

Synonyms

BI 0474;BI0474;compound 23

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of KRAS

Associated Targets(Human)

KRAS Tclin GTPase KRas (0 Activities)

Discover Target: KRAS

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

NCI-H358 (882 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KRAS Tclin GTPase KRas (1864 Activities)

Discover Target: KRAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

PubChem CID

165416585

RCSB PDB Ligand

LXD

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 KRAS^G12C Inhibitor.. J Med Chem, 65 (21): (14614-14629). [PMID:36300829] [10.1021/op500134e]

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

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

Basic Description

Associated Targets(Human)

Mechanisms of Action

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator