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BRD50837

CAT: 0931-T26899-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26899-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314295-24-3
Target
Hedgehog/Smoothened, Others
Related Pathways
Stem Cells, GPCR/G Protein, Others
Bioactivity
BRD50837 is a potent and selective inhibitor of Sonic Hedgehog (Shh) .
Smiles
N(C(=O)C1CC1)C2=C3C(C(=O)N([C@@H](CO)C)C[C@H](C)[C@H](CN(S(=O)(=O)C4=CC=C(Cl)C=C4)C)O3)=CC=C2
Molecular Formula
C26H32ClN3O6S
Molecular Weight
550.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
View on PubChemRaw 3D data

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