MedKoo Cat#: 124442 | Name: SMD-3040

Description:

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

SMD-3040 is a Potent and Selective SMARCA2 PROTAC Degrader with Strong in vivo Antitumor Activity. SMD-3040 degrades SMARCA2 protein with a low nanomolar DC50 and Dmax > 90% and demonstrates an excellent degradation selectivity for SMARCA2 protein over SMARCA4 protein. It displays potent cell growth inhibitory activity in a panel of SMARCA4-deficient cancer cell lines and has much weaker activity in SMARCA4 wild-type cancer cell lines. SMD-3040 achieves strong tumor growth inhibition in two SMARCA4-deficient xenograft models at well-tolerated dose schedules.

Chemical Structure

SMD-3040
SMD-3040
CAS#3033109-92-8

Theoretical Analysis

MedKoo Cat#: 124442

Name: SMD-3040

CAS#: 3033109-92-8

Chemical Formula: C52H66N10O5S

Exact Mass: 942.4900

Molecular Weight: 943.23

Elemental Analysis: C, 66.22; H, 7.05; N, 14.85; O, 8.48; S, 3.40

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
SMD-3040; SMD3040; SMD 3040
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-((1r,4S)-4-((7-(4-(3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl)-1H-pyrazol-1-yl)-2-azaspiro[3.5]nonan-2-yl)methyl)cyclohexane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
InChi Key
GMCWCUOAGNWNLO-YTZIVEPUSA-N
InChi Code
InChI=1S/C52H66N10O5S/c1-31(34-14-16-35(17-15-34)45-32(2)54-30-68-45)56-49(66)43-22-39(63)27-61(43)50(67)46(51(3,4)5)57-48(65)36-12-10-33(11-13-36)25-60-28-52(29-60)20-18-38(19-21-52)62-26-37(24-55-62)41-23-42(58-59-47(41)53)40-8-6-7-9-44(40)64/h6-9,14-17,23-24,26,30-31,33,36,38-39,43,46,63-64H,10-13,18-22,25,27-29H2,1-5H3,(H2,53,59)(H,56,66)(H,57,65)/t31-,33-,36-,39+,43-,46+/m0/s1
SMILES Code
OC1=C(C2=CC(C3=CN(C4CCC5(CN(C[C@H]6CC[C@H](C(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)=O)CC6)C5)CC4)N=C3)=C(N)N=N2)C=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 943.23 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
Yang L, Tu W, Huang L, Miao B, Kaneshige A, Jiang W, Leng L, Wang M, Wen B, Sun D, Wang S. Discovery of SMD-3040 as a Potent and Selective SMARCA2 PROTAC Degrader with Strong in vivo Antitumor Activity. J Med Chem. 2023 Jul 31. doi: 10.1021/acs.jmedchem.3c00953. Epub ahead of print. PMID: 37523716.