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MedKoo Cat#: 128333 | Name: INCB159020

Description:

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

INCB159020 is an Orally Bioavailable KRAS G12D Inhibitor. INCB159020 binds with equal potency to both the active GTP and inactive GDP form as determined by SPR (2.4nM GDP form, 2.8 nM GTP form). INCB159020 binding was highly selective for KRAS G12D. 23 shows significant selectivity over inhibition of wild-type KRAS.

Chemical Structure

INCB159020
INCB159020
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128333

Name: INCB159020

CAS#: N/A

Chemical Formula: C37H35ClFN7O2

Exact Mass: 663.2525

Molecular Weight: 664.18

Elemental Analysis: C, 66.91; H, 5.31; Cl, 5.34; F, 2.86; N, 14.76; O, 4.82

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
INCB159020; INCB 159020; INCB-159020
IUPAC/Chemical Name
3-(1-((1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl)-7-(3-chloro-2-methylphenyl)-6-fluoro-4-(5-methylpyrazin-2-yl)-2-((R)-1-(3-oxomorpholino)ethyl)-1H-pyrrolo[3,2-c]quinolin-8-yl)propanenitrile
InChi Key
BZTYAVYCLPPSMR-MGRYNLJHSA-N
InChi Code
InChI=1S/C37H35ClFN7O2/c1-19-15-42-29(17-41-19)34-26-14-30(21(3)45-10-11-48-18-31(45)47)46(36-23-13-28(36)43-16-23)37(26)25-12-22(6-5-9-40)32(33(39)35(25)44-34)24-7-4-8-27(38)20(24)2/h4,7-8,12,14-15,17,21,23,28,36,43H,5-6,10-11,13,16,18H2,1-3H3/t21-,23-,28-,36+/m1/s1
SMILES Code
ClC1=C(C)C(C2=C(F)C(N=C(C3=CN=C(C)C=N3)C4=C5N([C@@H]6[C@@H]7NC[C@H]6C7)C([C@H](N8CCOCC8=O)C)=C4)=C5C=C2CCC#N)=CC=C1
Appearance
To be determined
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 664.18 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
Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor Qinda Ye, Artem Shvartsbart, Zhenwu Li, Pei Gan, Rocco L. Policarpo, Chao Qi, Jeremy J. Roach, Wenyu Zhu, Matthew S. McCammant, Bin Hu, Gencheng Li, Haolin Yin, Peter Carlsen, Gia Hoang, Le Zhao, Robert Susick, Fenglei Zhang, Cheng-Tsung Lai, Abdellah Allali Hassani, Leslie B. Epling, Alexandra Gallion, Kerri Kurzeja-Lipinski, Karen Gallagher, Valerie Roman, Matthew R. Farren, Weixi Kong, Marc C. Deller, Guofeng Zhang, Maryanne Covington, Sharon Diamond, Sunkyu Kim, Wenqing Yao, Alexander Sokolsky, and Xiaozhao Wang Journal of Medicinal Chemistry Article ASAP DOI: 10.1021/acs.jmedchem.4c02662