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BRD50837

CAT: 1410-M11264-01Size: 1 EachDry Ice: NoHazardous: No
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Description
BRD50837 is a potent, selective, small-molecule inhibitor of the Sonic Hedgehog (Shh) pathway with EC50 of 90 nM.
CAS Number
1314295-24-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
550.067
Molecular Formula
C26H32ClN3O6S
Notes
Research use only, not for human use.
Receptor
Hedgehog (Hh)

Chemical Information

CID 44499307
CAS Number1314295-24-3
PubChem CID44499307
IUPAC NameN-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
Molecular FormulaC26H32ClN3O6S
Molecular Weight550.1
XLogP2.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity918
SMILES
C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO
InChI
InChI=1S/C26H32ClN3O6S/c1-16-13-30(17(2)15-31)26(33)21-5-4-6-22(28-25(32)18-7-8-18)24(21)36-23(16)14-29(3)37(34,35)20-11-9-19(27)10-12-20/h4-6,9-12,16-18,23,31H,7-8,13-15H2,1-3H3,(H,28,32)/t16-,17+,23-/m0/s1
InChIKey
DPCJYFXLXUKVAP-MFEFFIJZSA-N
Chemical Structure
2D Structure
2D structure of CID 44499307
CAS: 1314295-24-3
CID: 44499307
Formula: C26H32ClN3O6S
MW: 550.1
Interactive 3D Structure
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View on PubChemRaw 3D data

Alternative Products

CatalogName
HY-120664BRD50837

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