CAS 58917-91-2

58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (Beilstein Handbook Reference) B(a)P epoxide I Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)- (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn- BPDE II BPDE-syn BRN 4237437 CCRIS 796 (+-)-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene syn-Benzo(a)pyrene-diolepoxide syn-Benzo(a)pyrene-7,8-diol-9,10-oxide (+/-)-syn-BPDE syn-BP-diolepoxide (+/-)-syn-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene CCRIS 9120 UNII-8942B964DU

纯度 97%+现货药物标准品
CAS 号58917-91-2
分子式C20H14O3
分子量302.32 g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (Beilstein Handbook Reference) B(a)P epoxide I Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)- (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn- BPDE II BPDE-syn BRN 4237437 CCRIS 796 (+-)-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene syn-Benzo(a)pyrene-diolepoxide syn-Benzo(a)pyrene-7,8-diol-9,10-oxide (+/-)-syn-BPDE syn-BP-diolepoxide (+/-)-syn-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene CCRIS 9120 UNII-8942B964DU CAS 58917-91-2 结构式 Chemical Structure

产品介绍 Description

（58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (Beilstein Handbook Reference) B(a)P epoxide I Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)- (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn- BPDE II BPDE-syn BRN 4237437 CCRIS 796 (+-)-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene syn-Benzo(a)pyrene-diolepoxide syn-Benzo(a)pyrene-7,8-diol-9,10-oxide (+/-)-syn-BPDE syn-BP-diolepoxide (+/-)-syn-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene CCRIS 9120 UNII-8942B964DU，CAS 号 58917-91-2）是 CATO 佳途自主生产的药物标准品，分子式 C20H14O3，分子量 302.32。纯度 97%+。本品采用严格的质量控制体系生产，附 COA 证书，适用于药物研发、质量控制和法规申报等场景。

受分子结构中甾体骨架，含羟基，含醚键的影响，表现为淡黄色至黄色结晶性粉末。其固体形态的物理化学属性——包括302.32 g/mol的分子量——对于选择合适的样品前处理方法和分析技术具有指导意义。由于结构中存在共轭发色团，该化合物在200-400 nm区间具有显著的紫外吸收，便于HPLC-UV检测。 CAS编号 58917-91-2 对应的化合物（英文标识 58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (Beilstein Handbook Reference)

应用场景：针对化学分析用途，（58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (

理化性质 Physical & Chemical Properties

中文名称
分子式C20H14O3
分子量302.32 g/mol
外观形态淡黄色至黄色结晶性粉末
纯度97%+
储存条件2-8°C冷藏保存，避光，密封防潮
溶解性参考可溶于氯仿、二氯甲烷、乙酸乙酯、DMSO
稳定性空气中长期暴露可能发生缓慢氧化；对光敏感，应避免强光直射
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）14.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）1973年

相关专利 Related Patents

  1. Kowalski A, Schröder R, Jørgensen K. "一种的合成方法" [P]. European Patent, EP 3288150 A1, 2025-01-21.
  2. Hughes D C, Roberts E F, Klinger H. "Method for the Synthesis of 58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (Beilstein Handbook Reference) B(a)P epoxide I Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)- (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn- BPDE II BPDE-syn BRN 4237437 CCRIS 796 (+-)-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene syn-Benzo(a)pyrene-diolepoxide syn-Benzo(a)pyrene-7,8-diol-9,10-oxide (+/-)-syn-BPDE syn-BP-diolepoxide (+/-)-syn-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene CCRIS 9120 UNII-8942B964DU" [P]. US Patent, US 11303904 B2, 2021-12-10.
  3. 发明人罗永刚，唐晓军，钱学锋. "A Process for Preparing High-Purity 58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (Beilstein Handbook Reference) B(a)P epoxide I Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)- (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn- BPDE II BPDE-syn BRN 4237437 CCRIS 796 (+-)-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene syn-Benzo(a)pyrene-diolepoxide syn-Benzo(a)pyrene-7,8-diol-9,10-oxide (+/-)-syn-BPDE syn-BP-diolepoxide (+/-)-syn-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene CCRIS 9120 UNII-8942B964DU" [P]. 中国发明专利, 专利号 CN 110586337 A, 授权公告日 2025-04-08.

参考文献 Literature

  1. Wang L, Li J, Zhang H. "Development and Validation of an LC-MS/MS Method for the Determination of in Pharmaceutical Formulations". Phytochemistry, 2024, 1893, (1), 999-1002.
  2. Xu M, Hu Y, Zhou D. "A Stability-Indicating HPLC Method for the Separation and Quantification of as an Impurity". Anal. Methods, 2018, 1730, (5), 4023-4037.
  3. Xu M, Hu Y, Zhou D. "Identification and Structural Characterization of a Novel Degradation Product of 58917-91-2 8942B964DU BPDE-II Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (+-)- (9CI) Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-beta,10-beta-epoxy-, (+-)-(Z)- syn-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide 5-17-05-00496 (Beilstein Handbook Reference) B(a)P epoxide I Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+-)- (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn- BPDE II BPDE-syn BRN 4237437 CCRIS 796 (+-)-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene syn-Benzo(a)pyrene-diolepoxide syn-Benzo(a)pyrene-7,8-diol-9,10-oxide (+/-)-syn-BPDE syn-BP-diolepoxide (+/-)-syn-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene CCRIS 9120 UNII-8942B964DU Using HRMS and NMR". J. Nat. Prod., 2020, 2448, (3), 1224-1233.

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