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BRD50837

CAT: 0013-GTR19197997-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197997-01Size:50 mg
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Description
BRD50837 is a selective small molecule inhibitor of the Sonic Hedgehog (Shh) pathway. It is utilized in both in vitro and in vivo research to investigate Shh signaling roles in development, tissue regeneration, and oncogenesis.
CAS Number
1314295-24-3
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
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
Storage Conditions
-20°C
Notes
For research use only.

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

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