Bz-423
Basic information
- CAS
216691-95-1- Standard SMILES
CN1C(=O)C(Cc2ccc3ccccc3c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21- InChIKey
IJEUIRDNQUQMFU-UHFFFAOYSA-N- Molecular formula
- C27H21ClN2O2
- Average molar mass
- 440.9 g/mol
- Monoisotopic mass
- 440.1291556
Names & identifiers
- Preferred name
- Bz-423
- IUPAC
- 7-chloro-5-(4-hydroxyphenyl)-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-one
- English name
- 7-Chloro-5-(4-hydroxyphenyl)-1-methyl-3-(2-naphthylmethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
- Molecular formula
- C27H21ClN2O2
- Molecular weight
- 440.92
Names & synonyms
216691-95-1BZ 423BZ-423M4Z88L5FCM2H-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-1-methyl-3-(2-naphthalenylmethyl)-BZ-48RefChem:122446BZ 487-Chloro-1,3-dihydro-5-(4-hydroxyphenyl)-1-methyl-3-(2-naphthalenylmethyl)-2H-1,4-benzodiazepin-2-one7-Chloro-5-(4-hydroxyphenyl)-1-methyl-3-(naphthalen-2-ylmethyl)-3H-1,4-benzodiazepin-2-one498576-83-3UNII-M4Z88L5FCM
Show more names
BZ48Bz 423 (BZ48)Bz-423 >=98% (HPLC)Bz 423, 10 mM in DMSO7-Chloro-5-(4-hydroxyphenyl)-1-methyl-3-(2-naphthylmethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one7-chloro-1-methyl-3-(naphthalen-2-ylmethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one
C27H21ClN2O2CHEMBL113426orb1707503SCHEMBL1687457SCHEMBL29410184SCHEMBL29544459DTXSID20944275GLXC-05316
Database identifiers
- CAS
216691-95-1- PubChem CID
- 644335
- DTXSID
DTXSID20944275- ChEMBL
CHEMBL113426- UNII
- M4Z88L5FCM
- Nikkaji
- J2.032.826F
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 704
Physicochemical properties
- Boiling point
- 697.2 · 697.2±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO : ≥ 125 mg/mL (283.50 mM)
- form
- Solid
- pka
- 9.05 · 9.05±0.30(Predicted)
- color
- Light yellow to yellow
- InChI
- 1S/C27H21ClN2O2/c1-30-25-13-10-21(28)16-23(25)26(19-8-11-22(31)12-9-19)29-24(27(30)32)15-17-6-7-18-4-2-3-5-20(18)14-17/h2-14,16,24,29H,15H2,1H3
- InChIKey
- IJEUIRDNQUQMFU-UHFFFAOYSA-N
- SMILES
- ClC1=CC=C2C(C(C3=CC=C(O)C=C3)=NC(CC4=CC=C(C=CC=C5)C5=C4)C(N2C)=O)=C1
- FDA UNII
- 4 Z88L5FCM · M4Z88L5FCM
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationBiologically active substances whose activities affect or play a role in the functioning of the immune system.
Applications
UsesBz-423 is a 1,4-benzodiazepine that suppresses disease in lupus-prone mice by selectively killing pathogenic lymphocytes.
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