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50-76-0 分子结构
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2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-3H-phenoxazine-1,9-dicarboxamide

ChemBase编号:845
分子式:C62H86N12O16
平均质量:1255.41704
单一同位素质量:1254.62847473
SMILES和InChIs

SMILES:
O=C1N2C(CCC2)C(=O)N(CC(=O)N(C(C(C)C)C(=O)OC(C(NC(=O)c2c3nc4c(C(=O)NC5C(=O)NC(C(=O)N6C(CCC6)C(=O)N(CC(=O)N(C(C(C)C)C(=O)OC5C)C)C)C(C)C)ccc(c4oc3c(c(=O)c2N)C)C)C(=O)NC1C(C)C)C)C)C
Canonical SMILES:
O=C1NC(C(C)C)C(=O)N2CCCC2C(=O)N(C)CC(=O)N(C(C(=O)OC(C1NC(=O)c1c2nc3c(ccc(c3oc2c(c(=O)c1N)C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C(=O)C2N(C(=O)C(NC1=O)C(C)C)CCC2)C)C)C(C)C)C
InChI:
InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)
InChIKey:
RJURFGZVJUQBHK-UHFFFAOYSA-N

引用这个纪录

CBID:845 http://www.chembase.cn/molecule-845.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-3H-phenoxazine-1,9-dicarboxamide
IUPAC传统名
actinomycin D
商标名
ACT
ACT D
ACTINOMYCIN D
ACTO-D
Actactinomycin a Iv
Actinomycin 11 Cosmegen
Actinomycin 7
Actinomycin Aiv
Actinomycin C1
Actinomycin I
Actinomycin I1
Actinomycin Iv
Actinomycin X 1
Actinomycindioic D Acid, Dilactone
Chounghwamycin B
Cosmegen
Dactinomycin D
Dilactone Actinomycin D Acid
Dilactone Actinomycindioic D Acid
HBF 386 Meractinomycin
Lyovac Cosmegen
Meractinomycin
Oncostatin K
Oxamide
别名
Actinomycin IV
Dactinomycin
ACTINOMYCIN D
ACTINOMYCIN D AMP
AD
Antibiotic From Streptomyces Parvullus
Dactinomicina [INN-Spanish]
Dactinomycine [INN-French]
Dactinomycinum [INN-Latin]
Dactinomycin
CAS号
50-76-0
EC号
200-063-6
PubChem SID
160964308
PubChem CID
2019

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 10.516916  质子受体 16 
质子供体 LogD (pH = 5.5) -0.09688717 
LogD (pH = 7.4) -0.09717637  Log P -0.096882455 
摩尔折射率 326.1716 cm3 极化性 124.87235 Å3
极化表面积 355.54 Å2 可自由旋转的化学键
里宾斯基五规则 false 
Log P 2.76  LOG S -4.8 
溶解度 2.00e-02 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Soluble at 10°C expand 查看数据来源
熔点
87 °C expand 查看数据来源
疏水性(logP)
1.6 expand 查看数据来源
保存条件
2-8°C, Protect from light expand 查看数据来源
RTECS编号
AU1575000 expand 查看数据来源
欧盟危险性物质标志
剧毒(Highly toxic) 剧毒(Highly toxic) (T+) expand 查看数据来源
联合国危险货物编号
2811 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
联合国危险货物等级
6.1 expand 查看数据来源
联合国危险货物包装类别(PG)
II expand 查看数据来源
澳大利亚Hazchem
2XE expand 查看数据来源
危险公开号
R:28 expand 查看数据来源
安全公开号
S:28-29-36/37/39-45 expand 查看数据来源
欧盟危险货物分类
T2 expand 查看数据来源
欧盟危险识别号(EUHIN)
6.1B expand 查看数据来源
美国ERG指导号
154 expand 查看数据来源
纯度
~98% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank
MP Biomedicals -  02104658 external link
Crystalline
Purity: ~98%
Potent apoptosis inducer.
Soluble in chloroform, acetone, methanol and decomposed by strong acids, light.
MP Biomedicals -  05224713 external link
MP Biomedicals Rare Chemical collection
DrugBank -  DB00970 external link
Item Information
Drug Groups approved
Description A compound composed of a two cyclic peptides attached to a phenoxazine that is derived from streptomyces parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)
Indication For the treatment of Wilms' tumor, childhood rhabdomyosarcoma, Ewing's sarcoma and metastatic, nonseminomatous testicular cancer as part of a combination chemotherapy and/or multi-modality treatment regimen
Pharmacology Generally, the actinomycins exert an inhibitory effect on gram-positive and gram-negative bacteria and on some fungi. However, the toxic properties of the actinomycins (including dactinomycin) in relation to antibacterial activity are such as to preclude their use as antibiotics in the treatment of infectious diseases. Because the actinomycins are cytotoxic, they have an antineoplastic effect which has been demonstrated in experimental animals with various types of tumor implant. This cytotoxic action is the basis for their use in the treatment of certain types of cancer. Dactinomycin is believed to produce its cytotoxic effects by binding DNA and inhibiting RNA synthesis.
Toxicity hepatoxicity
Affected Organisms
Humans and other mammals
Biotransformation hepatic
Absorption poorly absorbed from gastrointestinal tract
Half Life 36 hours
Protein Binding 5%
References
Sobell HM: Actinomycin and DNA transcription. Proc Natl Acad Sci U S A. 1985 Aug;82(16):5328-31. [Pubmed]
Turan T, Karacay O, Tulunay G, Boran N, Koc S, Bozok S, Kose MF: Results with EMA/CO (etoposide, methotrexate, actinomycin D, cyclophosphamide, vincristine) chemotherapy in gestational trophoblastic neoplasia. Int J Gynecol Cancer. 2006 May-Jun;16(3):1432-8. [Pubmed]
Abd El-Aal HH, Habib EE, Mishrif MM: Wilms' tumor: the experience of the pediatric unit of Kasr El-Aini center of radiation oncology and nuclear medicine (NEMROCK). J Egypt Natl Canc Inst. 2005 Dec;17(4):308-14. [Pubmed]
Khatua S, Nair CN, Ghosh K: Immune-mediated thrombocytopenia following dactinomycin therapy in a child with alveolar rhabdomyosarcoma: the unresolved issues. J Pediatr Hematol Oncol. 2004 Nov;26(11):777-9. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Turan T, Karacay O, Tulunay G, Boran N, Koc S, Bozok S, Kose MF: Results with EMA/CO (etoposide, methotrexate, actinomycin D, cyclophosphamide, vincristine) chemotherapy in gestational trophoblastic neoplasia. Int J Gynecol Cancer. 2006 May-Jun;16(3):1432-8. Pubmed
  • Abd El-Aal HH, Habib EE, Mishrif MM: Wilms' tumor: the experience of the pediatric unit of Kasr El-Aini center of radiation oncology and nuclear medicine (NEMROCK). J Egypt Natl Canc Inst. 2005 Dec;17(4):308-14. Pubmed
  • Khatua S, Nair CN, Ghosh K: Immune-mediated thrombocytopenia following dactinomycin therapy in a child with alveolar rhabdomyosarcoma: the unresolved issues. J Pediatr Hematol Oncol. 2004 Nov;26(11):777-9. Pubmed
  • Sobell HM: Actinomycin and DNA transcription. Proc Natl Acad Sci U S A. 1985 Aug;82(16):5328-31. Pubmed
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