BQ 928
Completing data — refresh the page later to see the latest
Basic information
- CAS
166735-10-0- Standard SMILES
CCCC[C@@H](C(=O)O)N(C(=O)[C@H](Cc1c(Br)[nH]c2ccccc12)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[C@@H](N)C1CC1- InChIKey
DNMXWWIEJAFXLJ-YBGNPTCXSA-N- Molecular formula
- C30H42BrN5O5
- Average molar mass
- 632.6 g/mol
- Monoisotopic mass
- 631.23693
Overview
endothelin A and endothelin B receptor antagonist; RN given for (2R-(1(S*),2alpha,6alpha))-isomer
Names & identifiers
- Preferred name
- BQ 928
- IUPAC
- (2S)-2-[[(2S)-2-amino-2-cyclopropylacetyl]-[(2S)-3-(2-bromo-1H-indol-3-yl)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoyl]amino]hexanoic acid
- English name
- BQ 928
- Molecular formula
- C30H42BrN5O5
- Molecular weight
- 632.59
Names & synonyms
BQ 928166735-10-0BQ-928DTXSID50168169RefChem:121189DTXCID1090660N-cis-2,6-Dimethylpiperidinocarbonyl-2-cyclopropylglycyl-2-bromotryptophanyl-norleucineSCHEMBL300763612-Bromo-N-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-L-tryptophyl-N-[(2S)-2-amino-2-cyclopropylacetyl]-L-norleucineD-Norleucine, (2S)-2-cyclopropyl-N-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl]glycyl-2-bromo-D-tryptophyl- (9CI)
Database identifiers
- CAS
166735-10-0- PubChem CID
- 133071
- DTXSID
DTXSID50168169
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 954
Physicochemical properties
- Boiling point
- 940.4 · 940.4±65.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 3.37 · 3.37±0.10(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…