MedKoo Cat#: 128293 | Name: SMD-3236

Description:

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

SMD-3236 is a Potent, Highly Selective and Efficacious SMARCA2 Degrader for the Treatment of SMARC4-Deficient Human Cancers. SMD-3236 achieves DC50 < 1 nM and Dmax > 95% against SMARCA2 and >2000-fold degradation selectivity over SMARCA4. SMD-3236 potently inhibits cell growth in a panel of SMARCA4-deficient cell lines and displays minimal activity in SMARCA4 wild-type cell lines. SMD-3236 induces profound and persistent SMARCA2 depletion in tumor tissues for 1 week with a single administration, while sparing SMARCA4 protein. SMD-3236 effectively inhibits tumor growth with weekly administration in the H838 SMARCA4-deficient human cancer xenograft model at well-tolerated dose schedules.

Chemical Structure

SMD-3236
SMD-3236
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128293

Name: SMD-3236

CAS#: N/A

Chemical Formula: C61H75ClN10O5S

Exact Mass: 1094.5331

Molecular Weight: 1095.85

Elemental Analysis: C, 66.86; H, 6.90; Cl, 3.23; N, 12.78; O, 7.30; S, 2.93

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-3236; SMD 3236; SMD3236
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(4-((1R,4S)-4-((4-(4'-chloro-5'-oxo-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-10'-yl)piperidin-1-yl)methyl)cyclohexyl)-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl)-4-hydroxy-N-((R)-1-(4-(4-methylthiazol-5-yl)phenyl)-2-morpholinoethyl)pyrrolidine-2-carboxamide
InChi Key
BVUYRGJLEBFFDR-ORLXDOOTSA-N
InChi Code
InChI=1S/C61H75ClN10O5S/c1-38-54(78-37-63-38)43-17-15-41(16-18-43)48(35-69-27-29-77-30-28-69)64-56(74)52-32-45(73)34-70(52)58(76)55(60(2,3)4)71-36-49(66-67-71)42-13-11-39(12-14-42)33-68-25-21-40(22-26-68)44-19-20-46-51(31-44)72-50-10-8-9-47(62)53(50)57(75)65-59(72)61(46)23-6-5-7-24-61/h8-10,15-20,31,36-37,39-40,42,45,48,52,55,73H,5-7,11-14,21-30,32-35H2,1-4H3,(H,64,74)/t39-,42-,45-,48+,52+,55-/m1/s1
SMILES Code
O=C(C1=C2C=CC=C1Cl)N=C(N2C3=C4C=CC(C5CCN(C[C@@H]6CC[C@@H](C7=CN([C@@H](C(C)(C)C)C(N8[C@H](C(N[C@@H](CN9CCOCC9)C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)=O)C[C@@H](O)C8)=O)N=N7)CC6)CC5)=C3)C%124CCCCC%12
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 1,095.85 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, Leng L, Huang L, Jiang W, Wang M, Wang Y, Meagher JL, Chinnaswamy K, Stuckey JA, Wang M, Wen B, Sun D, Harikrishnan L, Strickland C, Rice C, Orth P, Sui Z, Wang S. Discovery of SMD-3236: A Potent, Highly Selective and Efficacious SMARCA2 Degrader for the Treatment of SMARC4-Deficient Human Cancers. J Med Chem. 2025 Jan 2. doi: 10.1021/acs.jmedchem.4c01904. Epub ahead of print. PMID: 39745073.