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CRHR1 antagonist 1

CAT: 0931-T204574-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204574-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
276890-57-4
Target
CRFR
Related Pathways
GPCR/G Protein
Bioactivity
CRHR1 antagonist 1 (compound 10a) is a non-peptide antagonist of corticotropin-releasing hormone receptor 1 (CRHR1) . It serves as a useful tool in the study of psychiatric disorders.
Smiles
OCCCCN(C=1N=C(N=C2C1C(=C(N2C=3C(=CC(=CC3C)C)C)C)C)C)CC
Molecular Formula
C24H34N4O
Molecular Weight
394.553
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LWH-63 hydrochloride
CAS Number276890-57-4
PubChem CID16078985
IUPAC Name4-[ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]butan-1-ol;hydrochloride
Molecular FormulaC24H35ClN4O
Molecular Weight431.0
Topological Polar Surface Area54.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity505
SMILES
CCN(CCCCO)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C.Cl
InChI
InChI=1S/C24H34N4O.ClH/c1-8-27(11-9-10-12-29)23-21-18(5)19(6)28(24(21)26-20(7)25-23)22-16(3)13-15(2)14-17(22)4;/h13-14,29H,8-12H2,1-7H3;1H
InChIKey
DKVWSJKPRJIFPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LWH-63 hydrochloride
CAS: 276890-57-4
CID: 16078985
Formula: C24H35ClN4O
MW: 431.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass430.2499394
Monoisotopic Mass430.2499394
Topological Polar Surface Area54.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity505
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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