Basic information
- CAS
24237-54-5- Standard SMILES
CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2- InChIKey
PFENFDGYVLAFBR-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12454906
Overview
Tinoridine is a thienopyridine.
Names & identifiers
- Preferred name
- Tinoridine
- IUPAC
- ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
- English name
- Tinoridine
- Molecular formula
- C17H20N2O2S
- Molecular weight
- 316.42
Names & synonyms
Tinoridine24237-54-5TinoridinumY 3642Y-3642tinoridinaDTXSID9023677C9Z9ICZ7YRNSC-158555DTXCID403677tinoridinethyl 2-amino-6-benzyl-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate
Show more names
6H7H-thieno[2Tinoridine USP/EP/BPethyl 2-amino-6-benzyl-4HTinoridine, 10 mM in DMSOCholecalciferol Impurity 26Thieno(2,3-c)pyridine-3-carboxylic acid, 2-amin
ethyl 2-amino-6-benzyl-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carboxylateRefChem:1900752-amino-6-benzyl-4,5,6,7-tetrahydrothieno(2,3-c)-pyridine-3-carboxylic acid ethyl ester246-102-0ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylateNonflamin (free base)Tinoridine [INN]ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Database identifiers
- CAS
24237-54-5- PubChem CID
- 5480
- DTXSID
DTXSID9023677- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 112 · 112-113°C
- Boiling point
- 493.5 · 493.5±45.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly)
- form
- Solid
- pka
- 6.29 · 6.29±0.20(Predicted)
- color
- Light Yellow
- FDA UNII
- 9 Z9ICZ7YR · C9Z9ICZ7YR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- Toxicity
- LD50 in mice, rats (mg/kg): 5400, >10200 orally; 1600, 1250 i.p. (Nakanishi, 1970)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Mechanism of ActionTinoridine is a non-steroidal anti-inflammatory drug that inhibits cyclooxygenase (COX) enzymes, reducing prostaglandin synthesis and inflammation.
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
UsesEthyl 2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (Tinoridine) targets pantothenate synthetase which plays a significant role in the biosynthesis of pantothenate in Mycobacterium tuberculosis (MTB).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers46 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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