Basic information
- CAS
439946-22-2- Standard SMILES
Nc1c(C(=O)c2ccccc2)sc2[nH]c(=O)c(C(=O)O)cc12- InChIKey
OJHMDRZMENMQFP-UHFFFAOYSA-N- Molecular formula
- C15H10N2O4S
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.03612798
Names & identifiers
- Preferred name
- Ldn-91946
- IUPAC
- 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
- English name
- 3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
- Molecular formula
- C15H10N2O4S
- Molecular weight
- 314.3159
Names & synonyms
LDN-919463-amino-2-(benzoyl)-6-oxo-7H-thieno[3,2-e]pyridine-5-carboxylic acid3-amino-2-(benzoyl)-6-oxo-7H-thieno(3,2-e)pyridine-5-carboxylic acidRefChem:152604compound 7439946-22-23-amino-2-benzoyl-6-oxo-6H,7H-thieno[2,3-b]pyridine-5-carboxylic acidCHEMBL11905853-amino-2-benzoyl-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acidChemDiv2_004146LDN 91946MFCD03016619
Show more names
UCH-L1 Inhibitor IILDN-91946, 10 mM in DMSOThieno[2,3-b]pyridine-5-carboxylic acid, 3-amino-2-benzoyl-6,7-dihydro-6-oxo-LDN-91946,Inhibitor,Ubiquitin,LDN 91946,inhibit,Deubiquitinase,UCH-L1,DUBs,selective,LDN91946
3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acidOprea1_263045GTPL8661orb1308132SCHEMBL20007095HMS1380M10LDN91946BDBM50326016
Database identifiers
- CAS
439946-22-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Melting point
- 327 · 327-329 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 714 · 714.0±60.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 83.33 mg/mL · DMSO: 83.33 mg/mL (265.11 mM)
- pka
- 2.26 · 2.26±0.20(Predicted)
- form
- Solid
- color
- Light brown to brown
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 1 · WGK 1
- 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.
GHS classification
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- WGK 1
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesLDN-91946 is a potent, selective and uncompetitive ubiquitin C-terminal hydrolase-L1 (UCH-L1) inhibitor with a Ki app of 2.8 μM[1].
Suppliers14 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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