CP-376395
Basic information
- CAS
175140-00-8- Standard SMILES
CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C- InChIKey
VIZBSVDBNLAVAW-UHFFFAOYSA-N- Molecular formula
- C21H30N2O
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.23581359
Names & identifiers
- Preferred name
- CP-376395
- IUPAC
- 3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
- English name
- CP 376395
- Molecular formula
- C21H30N2O
- Molecular weight
- 326.48
Names & synonyms
175140-00-8CP 376395CP-376395CP3763954-Pyridinamine, N-(1-ethylpropyl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-5113G7FP343,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amineCP 376,395RefChem:9191233,6-Dimethyl-N-(Pentan-3-Yl)-2-(2,4,6-Trimethylphenoxy)pyridin-4-Amine2-(Mesityloxy)-3,6-dimethyl-N-(pentan-3-yl)pyridin-4-amineCP 376395?
Show more names
CP 376395 hydrochlorideCP 376395, 10 mM in DMSON-(1-Ethylpropyl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-4-pyridinaminehydrochlorideinhibit,CP376395,Inhibitor,Corticotropin-releasing Factor Receptor,CRFR,CP 376395,CP-376395
UNII-5113G7FP34VIZBSVDBNLAVAW-UHFFFAOYSA-N1Q5MFCD145848604k5yorb413212SCHEMBL123421CHEMBL270948
Database identifiers
- CAS
175140-00-8- PubChem CID
- 9862166
- DTXSID
DTXSID0047298- ChEMBL
CHEMBL270948- UNII
- 5113G7FP34
- Nikkaji
- J2.731.168G
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 224 °C · 224 °C
- Boiling point
- 434.9 · 434.9±45.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 15 mg/ml; Ethanol: 30 mg/ml
- form
- A crystalline solid
- pka
- 7.23 · 7.23±0.48(Predicted)
- color
- White to off-white
- FDA UNII
- 5113 G7FP34 · 5113G7FP34
Chemistry & industry
Applications
UsesCP 376395 is a potent, selective, and brain-penetrable Corticotropin releasing factor 1 (CRF1) receptor antagonist[1][2].
Related reactions
2 records
Compound notes
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