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MedKoo Cat#: 463514 | Name: SML-8-73-1

Description:

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

SML-8-73-1 is a Novel Active Site Inhibitor of Oncogenic K-Ras G12C.

Chemical Structure

SML-8-73-1
SML-8-73-1
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463514

Name: SML-8-73-1

CAS#: unknown

Chemical Formula: C14H21ClN6O12P2

Exact Mass: 562.0381

Molecular Weight: 562.75

Elemental Analysis: C, 29.88; H, 3.76; Cl, 6.30; N, 14.93; O, 34.12; P, 11.01

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
SML-8-73-1; SML-8731; SML-8 73 1; SML 8-73-1; SML8731; SML 8 73 1;
IUPAC/Chemical Name
N/A
InChi Key
LYRLHTRLCKSXIV-VHMYRRENSA-N
InChi Code
InChI=1S/C14H21ClN6O12P2/c15-3-7(22)17-1-2-30-34(26,27)33-35(28,29)31-4-6-9(23)10(24)13(32-6)21-5-18-8-11(21)19-14(16)20-12(8)25/h5-6,9-10,13,23-24H,1-4H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t6-,9-,10-,13-/m0/s1
SMILES Code
O=P(OP(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)N2C=NC3=C2N=C(NC3=O)N)(O)=O)(O)OCCNC(CCl)=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 562.75 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: Müller MP, Jeganathan S, Heidrich A, Campos J, Goody RS. Nucleotide based covalent inhibitors of KRas can only be efficient in vivo if they bind reversibly with GTP-like affinity. Sci Rep. 2017 Jun 16;7(1):3687. doi: 10.1038/s41598-017-03973-6. PMID: 28623374; PMCID: PMC5473928. 2: Xiong Y, Lu J, Hunter J, Li L, Scott D, Choi HG, Lim SM, Manandhar A, Gondi S, Sim T, Westover KD, Gray NS. Covalent Guanosine Mimetic Inhibitors of G12C KRAS. ACS Med Chem Lett. 2016 Nov 30;8(1):61-66. doi: 10.1021/acsmedchemlett.6b00373. PMID: 28105276; PMCID: PMC5238463. 3: Hunter JC, Gurbani D, Ficarro SB, Carrasco MA, Lim SM, Choi HG, Xie T, Marto JA, Chen Z, Gray NS, Westover KD. In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C. Proc Natl Acad Sci U S A. 2014 Jun 17;111(24):8895-900. doi: 10.1073/pnas.1404639111. Epub 2014 Jun 2. PMID: 24889603; PMCID: PMC4066474. 4: 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.