Basic information
- CAS
1438-30-8- Standard SMILES
Cn1cc(NC(=O)c2cc(NC(=O)CN=C(N)N)cn2C)cc1C(=O)NCCC(=N)N- InChIKey
IDBIFFKSXLYUOT-UHFFFAOYSA-N- Molecular formula
- C18H26N10O3
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.21893473
Overview
netropsin has been reported in Streptomyces ambofaciens and Streptomyces netropsis with data available.
Names & identifiers
- Preferred name
- Netropsin
- IUPAC
- N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
- English name
- NETROPSIN
- Molecular formula
- C18H26N10O3
- Molecular weight
- 430.46
Names & synonyms
Netropsin1438-30-8CongocidineSinanomycin64B3O0RD7NT-1384DTXSID00879834NSC-30671H-Pyrrole-2-carboxamide, 4-((((aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamideHydrochloride, NetropsinN-(5-((3-amino-3-iminopropyl)carbamoyl)-1-methylpyrrol-3-yl)-4-((2-(diaminomethylideneamino)acetyl)amino)-1-methylpyrrole-2-carboxamide
Show more names
f6t1384k-117ia8872814-aFusitinNCI 3067NSC 3067ch-777-a
RefChem:389142DTXCID00831033N-(5-((3-amino-3-iminopropyl)carbamoyl)-1-methylpyrrol-3-yl)-4-((2-(diaminomethylideneamino)acetyl)amino)-1-methylpyrrole-2-carboxamide;dihydrochlorideAntibiotic 1142CongocidinAntibiotic T-1384CHEMBL3077671H-Pyrrole-2-carboxamide, 4-[[2-[(aminoiminomethyl)amino]acetyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 723
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 171 · 171-173℃
- Boiling point
- 544.74 °C · 544.74°C (rough estimate)
- Density
- 1.3374 · 1.3374 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: 1 mg/mL
- form
- powder
- pka
- 14.37 · 14.37±0.70(Predicted)
- color
- faint yellow
- FDA UNII
- 64 B3O0RD7N · 64B3O0RD7N
- EPA Substance Registry System
- Netropsin (1438-30-8)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- DW2973000
- ridadr
- UN 2811 6.1/PG 3
- Toxicity
- LD50 oral in mouse: 300mg/kg
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Substances that inhibit the growth or reproduction of BACTERIA.
Applications
UsesNetropsin dihydrochloride is a small-molecule MGB (minor-groove binder) and antibiotic, inhibits the catalytic activity of isolated topoisomerase and interferes with the stabilization of the cleavable complexes of topoisomerase II and I in nuclei. Netropsin dihydrochloride has antibacterial and antiviral activity[1][2].
Suppliers53 total
北京华美互利生物化工010-56205725 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…