SMD-3040

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

MedKoo CAT#: 124442

CAS#: N/A

Description: 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

img
SMD-3040
CAS# N/A
Instruction

Theoretical Analysis

MedKoo Cat#: 124442
Name: SMD-3040
CAS#: N/A
Chemical Formula: C52H66N10O5S
Exact Mass: 942.49
Molecular Weight: 943.230
Elemental Analysis: C, 66.22; H, 7.05; N, 14.85; O, 8.48; S, 3.40

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

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.