Products for Research Use Only
RegisterLogin

SMD-3040

CAT: 0013-GTR19230233-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19230233-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
SMD-3040 is a potent and selective SMARCA2 PROTAC degrader with a DC50 of 12 nM. It achieves robust SMARCA2 degradation over SMARCA4 and has demonstrated significant tumor growth inhibition in xenograft models, supporting its use in oncology and targeted protein degradation research.
CAS Number
3033109-92-8
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Purity
99.91% (May vary between batches)
Smiles
C (N1CC2 (C1) CCC (CC2) N3C=C (C=N3) C=4C=C (N=NC4N) C5=C (O) C=CC=C5) [C@H]6CC[C@H] (C (N[C@H] (C (=O) N7[C@H] (C (N[C@@H] (C) C8=CC=C (C=C8) C9=C (C) N=CS9) =O) C[C@@H] (O) C7) C (C) (C) C) =O) CC6
Molecular Formula
C52H66N10O5S
Molecular Weight
943.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(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
CAS Number3033109-92-8
PubChem CID168433318
IUPAC Name(2S,4R)-1-[(2S)-2-[[4-[[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC52H66N10O5S
Molecular Weight943.2
XLogP5.8
Topological Polar Surface Area233
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count68
Formal Charge0
Complexity1710
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC(CC4)CN5CC6(C5)CCC(CC6)N7C=C(C=N7)C8=CC(=NN=C8N)C9=CC=CC=C9O)O
InChI
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
InChIKey
GMCWCUOAGNWNLO-LWMLYMNZSA-N
Chemical Structure
2D Structure
2D structure of (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
CAS: 3033109-92-8
CID: 168433318
Formula: C52H66N10O5S
MW: 943.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight943.2
XLogP35.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass942.49383642
Monoisotopic Mass942.49383642
Topological Polar Surface Area233 Ų
Heavy Atom Count68
Formal Charge0
Complexity1710
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19209463-01E 3040
GTR19250512-01SMD-1087
GTR19249408-01SMD-3236
GTR17963270Smd-1 Antibody
GTR18813701-01General Spermidine (SMD) ELISA Kit
GTR18020236Smd2 Antibody
GTR18014503SMD3 Antibody
GTR18014502SMD1 Antibody
GTR18020153Smd3 Antibody
GTR18020152Smd1 Antibody

Alternative Products

CatalogName
HY-156568-01SMD-3040
HY-156568B-01SMD-3040 (formate)
HY-156568ASMD-3040 (TFA)
MBS5822800SMD-3040 TFA
TYD-02728-01SMD-3040 intermediate-1
HY-400685-01SMD-3040 intermediate-2
A23973-10SMD-3040 formate 10mg
A23973-100SMD-3040 formate 100mg
A23973-50SMD-3040 formate 50mg
A23973-5SMD-3040 formate 5mg

Popular Products