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托法替尼

CAS 477600-75-2C16H20N6OMW 312.37

托法替尼(CAS 477600-75-2):分子式 C16H20N6O、分子量 312.37;类别 有机化学品。

产品描述

托法替尼(CAS 477600-75-2)是一种有机化学品原料。其分子式 C16H20N6O 由 16 个碳、20 个氢、6 个氮、1 个氧 组成。 分子量约为 312.37。公开物性数据显示其LogP 约 1.808。作为化工品采购代理与分销渠道,我们可在国内及跨境渠道为托法替尼寻源比价,并安排小批量试样与批次采购;下单前提供完整 COA、质检报告与合规文件,验收以批次 COA 为准。

规格参数

CAS号477600-75-2
分子式C16H20N6O
分子量312.37
LogP1.808
应用领域MEDICATION、Protein Kinase Inhibitors、Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al、World Intellectual Property Organization patent 0142246、eidem、United States of America patent 7265221 (2001
类别有机化学品

用途与场景

登记用途:MEDICATION、Protein Kinase Inhibitors、Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al、World Intellectual Property Organization patent 0142246、eidem、United States of America patent 7265221 (2001。

采购档案

这个产品是什么

托法替尼 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 477600-75-2,分子式 C16H20N6O(分子量 312.37),归属于有机化学品大类化工原料。

识别信息

登记 CAS 号:477600-75-2

其分子式 C16H20N6O 由 16 个碳、20 个氢、6 个氮、1 个氧 组成。

别名/同义词:托法替尼 · Tofacitinib

所属分类:有机化学品

常见问题

托法替尼 的 CAS 号是多少?

托法替尼 的 CAS 登记号为 477600-75-2。

托法替尼 的分子式与分子量是多少?

分子式 C16H20N6O,分子量 312.37。

托法替尼 还有哪些别名?

别名/同义词:托法替尼、Tofacitinib。

托法替尼 的登记用途是什么?

登记用途:MEDICATION、Protein Kinase Inhibitors、Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al、World Intellectual Property Organization patent 0142246、eidem、United States of America patent 7265221 (2001。

托法替尼 属于哪个分类?

所属分类:有机化学品。

如何在 591daili.cn 采购 托法替尼?

请在联系页面提交产品名称、CAS 号与数量,我们作为采购代理在国内及跨境渠道为您寻源比价,安排试样与批次采购,下单前提供 COA 与合规文件。

包装与单证

包装按订单确认,从实验室小包装到吨袋大货,随订单安排而非在页面上写死。每批随货附 COA 分析证书,可另提供 MSDS;若终端用途带有法规限度(食品接触、药品或化妆品),请在询价时说明执行标准,等级按该标准确定。

PubChem 公开数据

托法替尼(CAS 477600-75-2)的公开数据库记录,列此仅供独立核对。

危险化学品分类与危害说明

Reported hazard statementsH301 (25%), H302 (25%), H311 (25%), H315 (25%), H319 (25%), H331 (25%), H335 (25%), H351 (25%)

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

物理形态与操作说明

  • White crystalline solid. MP: 199-206 °C /Tofacitinib monocitrate/
  • Stable under recommended storage conditions. /Tofacitinib citrate/
  • Specific optical rotation: +10.4 deg at 25 °C/D (c = 0.64 in methanol)
  • pKa1 = 8.46 (cyano); pKa2 = 13.56 (secondary amine)
  • Oral: Tablets, film-coated, 5 mg (of tofacitinib), Xeljanz (Pfizer).

公开数据库收录的理化数据

LogP1.808

这个物质在各数据库里的编号

CAS Registry Number477600-75-2
PubChem CID9926791
分子式C16H20N6O
IUPAC 名称3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
UNII(FDA)87LA6FU830

数据库记载的用途

  • Preparation (unspecified stereo): T. A. Blumenkopf et al., World Intellectual Property Organization patent 0142246; eidem, United States of America patent 7265221 (2001, 2007 both to Pfizer).
  • Tofacitinib is an oral, small molecule inhibitor of Janus kinases that is used to treat moderate-to-severe rheumatoid arthritis, psoriatic arthritis and inflammatory bowel disease. Tofacitinib is associated with transient and usually mild elevations in serum aminotransferase levels during therapy, but has yet to be linked to cases of clinically apparent acute liver injury.
  • Breast Feeding; Lactation; Milk, Human; Antirheumatic Agents; Enzyme Inhibitors; Janus Kinase Inhibitors; JAK Inhibitors; Signal Transduction Inhibitors; Protein Kinase Inhibitors
  • Xeljanz (tofacitinib) is indicated for the treatment of adult patients with moderately to severely active rheumatoid arthritis who have had an inadequate response or intolerance to methotrexate. It may be used as monotherapy or in combination with methotrexate or other nonbiologic disease-modifying antirheumatic drugs (DMARDs). /Included in US product label/
  • /BOXED WARNING/ MALIGNANCIES. Lymphoma and other malignancies have been observed in patients treated with Xeljanz. Epstein Barr Virus-associated post-transplant lymphoproliferative disorder has been observed at an increased rate in renal transplant patients treated with Xeljanz and concomitant immunosuppressive medications
  • Patients receiving tofacitinib are at increased risk of developing serious infections that may require hospitalization or result in death. Opportunistic infections caused by bacterial, mycobacterial, invasive fungal, viral, or other opportunistic organisms-including cryptococcosis, pneumocystosis, tuberculosis and other mycobacterial infections, esophageal candidiasis, multidermatomal herpes zoster, cytomegalovirus infection, and BK virus infection-have been reported in patients with rheumatoid arthritis receiving

它在各数据库里的别名

Tofacitinib; 477600-75-2; Tasocitinib; 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; CP-690550; CP 690550; Cp-690 free base; tofacitinibum; 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile; CP690550; 87LA6FU830; CP-690550 FREE BASE; CP-690,550 FREE BASE; CP690,550; CP-690-550; CHEBI:71200

计算机算出的分子描述符

分子量312.37
XLogP31.5
氢键供体数1
氢键受体数5
可旋转键数3
精确质量312.16985928
单同位素质量312.16985928
拓扑极性表面积88.9
重原子数23
形式电荷0

数据库摘要

Tofacitinib · CAS 477600-75-2 · C16H20N6O. UNII 87LA6FU830. LogP: 1.808.

数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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