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Antalarmin hydrochloride

CAT: 1568-C15154-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C15154-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
220953-69-5
SKU
C15154-5mg
Target
CRFR
Applications
GPCR & G Protein
Smiles
CC1=C (N2C (C) =C (C) C3=C (N (CCCC) CC) N=C (C) N=C32) C (C) =CC (C) =C1.[H]Cl
Molecular Formula
C24H35ClN4
Additionnal Information
Antalarmin hydrochloride is an orally active, non-peptide corticotropin-releasing hormone receptor 1 (CRHR1) antagonist exhibiting a Ki value of 1 nM. This compound inhibits CRH-induced ACTH secretion and attenuates CRH-mediated and novelty-induced anxiety-like behaviors in preclinical models. Additionally, antalarmin hydrochloride demonstrates anti-inflammatory activity in arthritis models and reduces stress-induced gastric ulceration associated with irritable bowel syndrome.

Chemical Information

Antalarmin hydrochloride
CAS Number220953-69-5
PubChem CID16078945
IUPAC NameN-butyl-N-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
Molecular FormulaC24H35ClN4
Molecular Weight415.0
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity485
SMILES
CCCCN(CC)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C.Cl
InChI
InChI=1S/C24H34N4.ClH/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5;/h13-14H,9-12H2,1-8H3;1H
InChIKey
CGDGXEDXEXACKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antalarmin hydrochloride
CAS: 220953-69-5
CID: 16078945
Formula: C24H35ClN4
MW: 415.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass414.2550248
Monoisotopic Mass414.2550248
Topological Polar Surface Area34 Ų
Heavy Atom Count29
Formal Charge0
Complexity485
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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