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基本情報
- CAS
1404-15-5- 標準SMILES
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O- InChIKey
KGTDRFCXGRULNK-JYOBTZKQSA-N- 分子式
- C39H49NO16
- 平均分子量
- 787.812 g/mol
- 単同位体質量
- 787.30513449
名称と識別子
- 優先名称
- Nogalamycin
- IUPAC
- Methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
- 英語名
- NOGALAMYCIN
- 分子式
- C39H49NO16
- 分子量
- 787.8
名称と別名
U 15167U-15167nsc-70845noramycinAIDS031122NOGALAMYCINnogalomycinNogalamyicnNogalamycineNogalamycinum
データベース識別子
- CAS
1404-15-5- PubChem CID
- 5289019
- DTXSID
DTXSID20930779- ChEMBL
CHEMBL504459- ChEBI
CHEBI:44504- UNII
- L059DCD6IP
- EC Number
- 634-289-5
- Nikkaji
- J34.122C
物性
物理化学的性質
- Melting point
- 195 · 195-196° (dec)
- alpha
- 25 · D25 +425° (c = 0.11 in CHCl3)
- Boiling point
- 658.61 °C · 658.61°C (rough estimate)
- Density
- 1.2095 · 1.2095 (rough estimate)
- refractive index
- 1.765 · 1.7650 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMF: Soluble; DMSO: Soluble; Ethanol: soluble; Methanol: Soluble
- form
- A solid
- pka
- 7.45 · 7.45 (60% ethanol)
- color
- Orange-red solid from MeOH
- biological source
- Streptomyces nogalater
- InChIKey
- KGTDRFCXGRULNK-UHFFFAOYSA-N
- SMILES
- COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 59 DCD6IP · L059DCD6IP
- UNSPSC Code
- 51111755 · 51111755
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H332-H350-H360
- Precautionary statements
- 201 · P201-P280-P308+P313
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 45 · 45-46-61-20/21/22
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- RA4550000
- Toxicity
- LD50 in mice (mg/kg): 11.75 i.v., 4.79 i.p. (Hadidian)
- risk_code
- 45-46-61-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H312-H332-H350-H360
- Hazard Classifications
- Acute Tox. 4 OralCarc. 1BRepr. 1B
- Precautionary statements
- P201-P280-P308+P313
化学と産業
応用分野
UsesNogalamycin is an unusual anthracycline produced by Streptomyces nogalater var. nogalater, reported by researchers at Upjohn in 1965. Nogalamycin contains two saccharides. The neutral monosaccharide attaches to the D ring, similar to the aminoglycoside moieties of the doxorubicin class, while the second, basic saccharide attaches to the phenolic group on the A ring in the ortho position to form a unique family of hexacyclic anthracyclines. Nogalamycin is potent antibacterial and antitumor agent that interacts with DNA by intercalation.
UsesNogalamycin (cas# 1404-15-5) is a compound useful in organic synthesis.
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