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StemRegenin 1 Hydrochloride

CAT: 0931-T23400-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T23400-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2319882-01-2
Target
AhR
Related Pathways
Immunology/Inflammation, Metabolism
Purity
0.9994
Bioactivity
StemRegenin 1 Hydrochloride is an aryl hydrocarbon receptor (AhR) antagonist (IC50 = 127 nM) that inhibits RANKL-induced osteoclast generation and differentiation while promoting the expansion of multipotent haematopoietic progenitor cells derived from human embryonic stem cells (hESCs) .
Smiles
Cl.CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)-c1csc2ccccc12
Molecular Formula
C24H24ClN5OS
Molecular Weight
466
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

StemRegenin 1 (hydrochloride)
CAS Number2319882-01-2
PubChem CID89928937
IUPAC Name4-[2-[[2-(1-benzothiophen-3-yl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol;hydrochloride
Molecular FormulaC24H24ClN5OS
Molecular Weight466.0
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity586
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)C3=CSC4=CC=CC=C43)NCCC5=CC=C(C=C5)O.Cl
InChI
InChI=1S/C24H23N5OS.ClH/c1-15(2)29-14-26-21-23(25-12-11-16-7-9-17(30)10-8-16)27-22(28-24(21)29)19-13-31-20-6-4-3-5-18(19)20;/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,27,28);1H
InChIKey
HBLDXOQSBJSGSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of StemRegenin 1 (hydrochloride)
CAS: 2319882-01-2
CID: 89928937
Formula: C24H24ClN5OS
MW: 466.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass465.1390093
Monoisotopic Mass465.1390093
Topological Polar Surface Area104 Ų
Heavy Atom Count32
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C3551-5StemRegenin 1 (hydrochloride)
GTR19200795-01StemRegenin 1 Hydrochloride
HY-15001-01Stemregenin 1
A8224-100StemRegenin 1 (SR1)
C17107-01SR1 (StemRegenin 1)
HY-15001G-01Stemregenin 1 (GMP)

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