Basic information
- CAS
633283-39-3- Standard SMILES
Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1- InChIKey
FPRULFHDSFKYBV-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3OS
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.070261
Names & identifiers
- Preferred name
- 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
- English name
- 3-AMINO-N-[(4-CHLOROPHENYL)METHYL]-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
- Molecular formula
- C17H16ClN3OS
- Molecular weight
- 345.85
Names & synonyms
633283-39-33-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamideVU 10010VU100103-amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamideVU-10010S8GR9YM9MVCHEMBL12129943-Amino-4,6-dimethyl-thieno(2,3-b)pyridine-2-carboxylic acid 4-chloro-benzylamide3-Amino-N-((4-chlorophenyl)methyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide3-Azanyl-N-((4-chlorophenyl)methyl)-4,6-dimethyl-thieno(2,3-b)pyridine-2-carboxamideThieno(2,3-b)pyridine-2-carboxamide, 3-amino-N-((4-chlorophenyl)methyl)-4,6-dimethyl-
Show more names
3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid 4-chloro-benzylamideThieno[2,3-b]pyridine-2-carboxamide, 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-hippocampus,synapses,acetylcholine,allosteric,excitatory,transmission,mAChR,Muscarinic acetylcholine receptor,carbachol,Inhibitor,inhibit,VU10010,proteins,depression,VU-10010
FPRULFHDSFKYBV-UHFFFAOYSA-NMFCD03821022UNII-S8GR9YM9MVMLS002474501cid_714286orb1305615orb1940364SCHEMBL29391858
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 10 mM · Soluble in DMSO > 10 mM
- form
- Powder
- color
- White to off-white
- FDA UNII
- 8 GR9YM9MV · S8GR9YM9MV
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P310+P330-P305+P351+P338-P337+P313-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26-39
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P280-P301+P310+P330-P305+P351+P338-P337+P313-P405-P501
Chemistry & industry
Applications
UsesThis compound acts as a selective allosteric M4 (Muscarinic Acetylcholine Receptor) agonist.
Suppliers21 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [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]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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