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MedKoo Cat#: 463515 | Name: SML-10-70-1

Description:

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

SML-10-70-1 is a Novel Active Site Inhibitor of Oncogenic K-Ras G12C.

Chemical Structure

SML-10-70-1
SML-10-70-1
CAS#1536470-98-0

Theoretical Analysis

MedKoo Cat#: 463515

Name: SML-10-70-1

CAS#: 1536470-98-0

Chemical Formula: C25H42ClN7O13P2

Exact Mass: 745.2004

Molecular Weight: 746.04

Elemental Analysis: C, 40.25; H, 5.67; Cl, 4.75; N, 13.14; O, 27.88; P, 8.30

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
SML-10-70-1; SML-10701; SML-10 70 1; SML-10701; SML10701; SML 10701;
IUPAC/Chemical Name
2-propylpentyl ((((((2S,3R,4S,5S)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(2-(2-chloroacetamido)ethoxy)phosphoryl)-L-alaninate
InChi Key
LNAHOHGGBNNBAI-LJUNMJSCSA-N
InChi Code
InChI=1S/C25H42ClN7O13P2/c1-4-6-15(7-5-2)11-42-24(38)14(3)32-47(39,43-9-8-28-17(34)10-26)46-48(40,41)44-12-16-19(35)20(36)23(45-16)33-13-29-18-21(33)30-25(27)31-22(18)37/h13-16,19-20,23,35-36H,4-12H2,1-3H3,(H,28,34)(H,32,39)(H,40,41)(H3,27,30,31,37)/t14-,16-,19-,20-,23-,47?/m0/s1
SMILES Code
O=P(N[C@H](C(OCC(CCC)CCC)=O)C)(OCCNC(CCl)=O)OP(OC[C@@H]1O[C@H](N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H]1O)(O)=O
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 746.04 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
1: Lim SM, Westover KD, Ficarro SB, Harrison RA, Choi HG, Pacold ME, Carrasco M, Hunter J, Kim ND, Xie T, Sim T, Jänne PA, Meyerson M, Marto JA, Engen JR, Gray NS. Therapeutic targeting of oncogenic K-Ras by a covalent catalytic site inhibitor. Angew Chem Int Ed Engl. 2014 Jan 3;53(1):199-204. doi: 10.1002/anie.201307387. Epub 2013 Nov 20. PMID: 24259466; PMCID: PMC3914205.