Basic information
- CAS
33404-78-3- Standard SMILES
CN(CC(=O)O)NC(=O)CC(N)CC(O)CN- InChIKey
IKHFJPZQZVMLRH-UHFFFAOYSA-N- Molecular formula
- C9H20N4O4
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.14845513
Overview
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Names & identifiers
- Preferred name
- Acetic acid, (2-(3,6-diamino-5-hydroxyhexanoyl)-1-methylhydrazino)-
- IUPAC
- 2-[[(3,6-diamino-5-hydroxyhexanoyl)amino]-methylamino]acetic acid
- English name
- negamycin
- Molecular formula
- C9H20N4O4
- Molecular weight
- 248.28
Names & synonyms
69352-42-72-(2-(3,6-Diamino-5-hydroxyhexanoyl)-1-methylhydrazinyl)acetic acidACETIC ACID, (2-(3,6-DIAMINO-5-HYDROXYHEXANOYL)-1-METHYLHYDRAZINO)-Negamycin, BRN 4687658SCHEMBL16501472-[[(3,6-diamino-5-hydroxy-hexanoyl)amino]-methyl-amino]acetic acidnegamycin(3R,5R)-3,6-Diamino-5-hydroxyhexanoic acid 2-(carboxymethyl)-2-methyl hydrazide(3R,5R)-3,6-Diamino-5-hydroxyhexanoic acid-N'-methyl-N'-(2-oxo-2-hydroxyethyl) hydrazideL-threo-Hexonic acid, 3,6-diamino-2,3,4,6-tetradeoxy-, 2-(carboxymethyl)-2-methylhydrazide
Database identifiers
- CAS
33404-78-3- PubChem CID
- 36458
- Nikkaji
- J73.709G
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 110 · 110-120° (dec)
- alpha
- 29 · D29 +2.5° (c = 2)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 3.55 · pKa values after treatment with HCl-methanol: 3.55, 8.10, 9.75(at 25℃)
- FDA UNII
- 15 L87Q2HQ · B15L87Q2HQ
- Toxicity
- 50 i.v · LD50 i.v. in mice: 400-500 mg/kg (Hameda)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 i.v. in mice: 400-500 mg/kg (Hameda)
Chemistry & industry
Applications
UsesNegamycin is a compound with antibacterial activity that inhibits protein synthesis by binding to the head domain of the bacterial ribosomal small subunit, leading to cell death, and also promotes misreading of near-cognate codons.
Suppliers8 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
济南药研药物化学有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
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Compound notes
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