Basic information
- CAS
62252-26-0- Standard SMILES
COc1oc(=O)c2cc(N)ccc2c1Cl- InChIKey
AMDGKLWVCUXONP-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO3
- Average molar mass
- 225.63 g/mol
Overview
7-amino-4-chloro-3-methoxy-2-benzopyran-1-one is a member of isocoumarins.
Names & identifiers
- Preferred name
- 7-Amino-4-chloro-3-methoxyisocoumarin
- IUPAC
- 7-amino-4-chloro-3-methoxyisochromen-1-one
- English name
- 7-Amino-4-chloro-3-methoxyisocoumarin
- Molecular formula
- C10H8ClNO3
- Molecular weight
- 225.63
Names & synonyms
62252-26-07-Amino-4-chloro-3-methoxyisocoumarinJLK 6jlk67-Amino-4-chloro-3-methoxy-1H-isochromen-1-oneJCP251JLK-67-Amino-4-chloro-3-methoxy-isocoumarin7-amino-4-chloro-3-methoxyisochromen-1-oneCHEMBL1495187-Amino-4-chloro-3-methoxy-isochromen-1-oneMFCD04035584
Show more names
JCP 251)JCP251 (JCP-251JLK6, 10 mM in DMSOGAMMA-SECRETASE INHIBITOR XI7-Amino-4-chloro-3-methoxy-1H-2-benzopyran1H-2-Benzopyran-1-one, 7-amino-4-chloro-3-methoxy-
3-methoxy-4-chloro-7-aminoisocoumarinorb1306163SCHEMBL3056620SCHEMBL29353123CHEBI:92395AMDGKLWVCUXONP-UHFFFAOYSA-NHMS3269N03HMS3413B04
Database identifiers
- CAS
62252-26-0- ChEMBL
CHEMBL149518- ChEBI
CHEBI:92395
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 456.1 · 456.1±45.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- DMSO (Slightly)
- pka
- 1.95 · 1.95±0.20(Predicted)
- form
- Solid
- color
- Yellow to Beige
- Stability
- Hygroscopic
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Applications
UsesJLK 6 is an inhibitor of γ-secretase, selectively inhibits βAPP cleavage.
Suppliers35 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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