MedKoo Cat#: 465765 | Name: Opnurasib
Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Opnurasib, also known as JDQ443, NVP-JDQ443, is a novel KRASG12C inhibitor which binds under the switch II loop with a novel binding mode, exploiting unique interactions with the KRASG12C protein compared to Sotorasib and Adagrasib. JDQ443 potently inhibits KRASG12C cellular signaling and proliferation in a mutant selective manner by irreversibly trapping the GDP-bound state of KRASG12C through formation of a covalent bond with cysteine at position 12.

Chemical Structure

Opnurasib
Opnurasib
CAS#2653994-08-0

Theoretical Analysis

MedKoo Cat#: 465765

Name: Opnurasib

CAS#: 2653994-08-0

Chemical Formula: C29H28ClN7O

Exact Mass: 525.2044

Molecular Weight: 526.04

Elemental Analysis: C, 66.22; H, 5.37; Cl, 6.74; N, 18.64; O, 3.04

Price and Availability

Size Price Availability Quantity
5mg USD 750.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
JDQ443; JDQ 443; JDQ-443; NVP-JDQ443; NVPJDQ443; NVP JDQ443; Opnurasib;
IUPAC/Chemical Name
1-(6-(4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl)prop-2-en-1-one
InChi Key
AZUYLZMQTIKGSC-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)
SMILES Code
CC1=CC2=C(C=NN2)[C@]([C@]3=C(C)N(C4CC5(CN(C(C=C)=O)C5)C4)N=C3C6=CC=C7C(C=NN7C)=C6)=C1Cl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 526.04 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL