Basic information
- CAS
20127-63-3- Standard SMILES
O=Cc1nccc2c1[nH]c1ccccc12- InChIKey
CHQBGSRZQLMDEX-UHFFFAOYSA-N- Molecular formula
- C12H8N2O
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.06366288
Names & identifiers
- Preferred name
- 9H-pyrido(3,4-b)indole-1-carbaldehyde
- IUPAC
- 9H-pyrido[3,4-b]indole-1-carbaldehyde
- English name
- 1-Formyl-β-carboline
- Molecular formula
- C12H8N2O
- Molecular weight
- 196.2
Names & synonyms
20127-63-39H-pyrido[3,4-b]indole-1-carbaldehydeKumujian CDTXSID104157229H-pyrido(3,4-b)indole-1-carbaldehydeRefChem:1075102DTXCID403665719H-pyrido[3,4-b]indole-1-carboxaldehyde1-Formyl-beta-carbolinebeta-carboline-1-carbaldehydeMFCD147067249H-b-Carboline-1-carbaldehyde
Show more names
NSC 1498501-Formyl-β-carbolineβ-Carboline-1-carbaldehyde
1-Formyl-|A-carboline9H-Beta-carboline-1-carboxaldehydeNSC1498501-Formyl-b-carboline3-formyl-beta-carboline1-Formyl-.beta.-carbolineorb1296843SCHEMBL3621970
Database identifiers
- CAS
20127-63-3- PubChem CID
- 5317375
- DTXSID
DTXSID10415722- ChEMBL
CHEMBL2171348- ChEBI
CHEBI:228961- Nikkaji
- J424.516D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 440.8 · 440.8±25.0 °C(Predicted)
- Density
- 1.392 · 1.392
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 14.21 · 14.21±0.40(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
OccurrenceA further alkaloid isolated from the heartwood of Picrasma quassinoides. Like the preceding alkaloid it also inhibits the growth of certain Staphylococcus aureus strains.
Uses1-Formyl-beta-carboline is an alkaloid with inhibitory activity against Newcastle disease virus (NDV). 1-Formyl-beta-carboline can effectively inhibit different genotypes of NDV with IC50 values within 10 μM, and its inhibition rate is more than 90% at a concentration of 20 μM. 1-Formyl-beta-carboline mainly exerts its effects by inhibiting the adsorption and entry processes in the NDV life cycle. 1-Formyl-beta-carboline has been identified as a novel HN inhibitor that can directly interact with the NDV HN protein and affect the adsorption of NDV. 1-Formyl-beta-carboline also inhibits the entry of NDV by inhibiting the PI3K/Akt signaling pathway rather than the ERK pathway[1].
Suppliers48 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
Related reactions
2 records
Compound notes
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