Ukrain
基本情報
- CAS
138069-52-0- 標準SMILES
C[N+]1(CCNP(=S)(NCC[N+]2(C)Cc3c(ccc4c3OCO4)[C@@H]3[C@H]2c2cc4c(cc2C[C@@H]3O)OCO4)NCC[N+]2(C)Cc3c(ccc4c3OCO4)[C@@H]3[C@H]2c2cc4c(cc2C[C@@H]3O)OCO4)Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3.[OH-].[OH-].[OH-]- InChIKey
KIGCDEJCMKDBHU-NIQQUOCOSA-K- 分子式
- C66H75N6O18PS
- 平均分子量
- 1,303.4 g/mol
- 単同位体質量
- 1,302.45961774
概要
a phytogenic antineoplastic agent; semisynthetic product from alkaloids of Chelidonium majus L. & thiophosphoric triaciridide acid
名称と識別子
- 優先名称
- Ukrain
- IUPAC
- (1S,12S,13R)-24-[2-[bis[2-[(1S,12S,13R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-yl]ethylamino]phosphinothioylamino]ethyl]-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol trihydroxide
名称と別名
Ukrain138069-52-0ukrain compound6251Q9UK1SDTXSID2043955RefChem:192977DTXCID0023955UKSR-222NSC-631570NSC 631570[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13,13',13''-[phosphinothioylidynetris(imino-2,1-ethanediyl)]tris[5b,6,7,12b,13,14-hexahydro-6-hydroxy-13-methyl-, hydroxide (1:3), (5bR,5'bR,5''bR,6S,6'S,6''S,12bS,12'bS,12''bS)-CCRIS 6300
名称をさらに表示
UNII-6251Q9UK1SSCHEMBL15532175HY-137054Q502728CHELIDONINIUM, 5,5',5''-(PHOSPHINOTHIOYLIDYNETRIS(IMINO-2,1-ETHANEDIYL))TRIS(5-METHYL-, TRIHYDROXIDE
データベース識別子
- CAS
138069-52-0- PubChem CID
- 160027
- UNII
- 6251Q9UK1S
物性
構造計算による物性
- 極性表面積
- 243 Ų
- 水素結合供与体数
- 9
- 水素結合受容体数
- 22
- 回転可能結合数
- 12
- 重原子数
- 92
- 形式電荷
- 0
- 複雑度
- 2,380
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
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