1-(3-溴苯基)胍 | 870780-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3-溴苯基)胍
• 英文名称: 1-(3-bromophenyl)guanidine
• 英文别名: 2-(3-bromophenyl)guanidine
• CAS: 870780-73-7
• 化学式: C₇H₈BrN₃
• 分子量: 214.065
• InChiKey: UPCKPUWKMOWDFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(3-溴苯基)胍 、 lichochalcone-A 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以43.48%的产率得到4-(3-(3-bromophenyl)-6-(4-hydroxyphenyl)-2-imino-2,3,4,5-tetrahydropyrimidin-4-yl)-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
  参考文献：
  名称：

  一类具抗肿瘤活性的甘草查尔酮A二氢氨基嘧啶类化合物及其合成方法

  摘要：

  本发明公开了一类具有抗肿瘤活性的甘草查尔酮A二氢氨基嘧啶类化合物及其合成方法，该类化合物以甘草查尔酮A、胍类化合物为原料，在乙醇作为溶剂下反应合成得到。该方法操作安全性高，反应条件温和，适用于工业化生产。经初步生物活性测试表明该类型化合物有较好的抗肿瘤活性，可用于抗肿瘤先导化合物的研究。

  公开号：

  CN106674129A
• 作为产物：
  描述：

  、 苄胺 以 二甲基亚砜 为溶剂， 反应 12.0h， 生成 1-(3-溴苯基)胍
  参考文献：
  名称：

  [EN] REVERSE-TURN MIMETICS AND METHOD RELATING THERETO
  [FR] MIMETIQUES A ROTATION INVERSE ET PROCEDE ASSOCIE

  摘要：

  公开号：

  WO2005116032A3

文献信息

• 一种N-桥连接的含氮五元杂环化合物及其制 备与用途
  申请人：华东理工大学

  公开号：CN103450112B

  公开（公告）日：2019-09-13

  本发明提供了一种N‑桥连接的含氮五元杂环化合物及其制备与用途，具体地，本发明提供了式(I)所示的一类化合物或者该化合物的光学异构体、顺反异构体或其药学上可接受的盐，以及该系列化合物的制备方法和作为一类非甾体雄激素受体调节剂在前列腺增生、前列腺癌、妇女多毛症、重度雄激素依赖性脱发、痤疮等疾病或症状药物治疗中的应用。
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457, XP002265366, ISSN: 0014-2972OVING I M ET ALMolecular causes of colon cancerEUROPEAN JOURNAL OF CLINICAL INVESTIGATION, BLACKWELL SCIENTIFIC PUBLICATIONS, XX2002063260014-2972448457WYD1-33YDTAKEMARU K-I ET AL: "THE TRANSCRIPTIONAL COACTIVATOR CBP INTERACTS WITH BETA-CATENIN TO ACTIVATE GENE EXPRESSION", THE JOURNAL OF CELL BIOLOGY, ROCKEFELLER UNIVERSITY PRESS, US, vol. 149, no. 2, 17 April 2000 (2000-04-17), pages 249 - 254, XP001063381, ISSN: 0021-9525TAKEMARU K-I ET ALTHE TRANSCRIPTIONAL COACTIVATOR CBP INTERACTS WITH BETA-CATENIN TO ACTIVATE GENE EXPRESSIONTHE JOURNAL OF CELL BIOLOGY, ROCKEFELLER UNIVERSITY PRESS, US2000041714920021-9525249254WX48Y1-33,49,51XYMORIN P J: "beta-catenin signaling and cancer", BIOESSAYS, CAMBRIDGE, GB, vol. 21, December 1999 (1999-12-01), pages 1021 - 1030, XP002174509, ISSN: 0265-9247MORIN P Jbeta-catenin signaling and cancerBIOESSAYS, CAMBRIDGE, GB199912210265-924710211030WY1-33,52,53YUS6762185B1KAHN MICHAEL [US], et al20040713WDPX1-33PY38DPXPYUS2004072831A1MOON SUNG HWAN [KR], et al20040415WDPX1-21,23-32PY38DPXPYEMAMI KATAYOON H ET AL: "A small molecule inhibitor of beta-catenin/cyclic AMP response element-binding protein transcription", PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, vol. 101, no. 34, 24 August 2004 (2004-08-24), pages 12682 - 12687, XP002317529, ISSN: 0027-8424EMAMI KATAYOON H ET ALA small molecule inhibitor of beta-catenin/cyclic AMP response element-binding protein transcriptionPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA20040824101340027-84241268212687WPX1-33PXDANIELS D L ET AL: "beta-catenin: molecular plasticity and drug design", TIBS TRENDS IN BIOCHEMICAL SCIENCES, ELSEVIER PUBLICATION, CAMBRIDGE, EN, vol. 26, no. 11, 1 November 2001 (2001-11-01), pages 672 - 678, XP004326488, ISSN: 0968-0004DANIELS D L ET ALbeta-catenin: molecular plasticity and drug designTIBS TRENDS IN BIOCHEMICAL SCIENCES, ELSEVIER PUBLICATION, CAMBRIDGE, EN2001110126110968-0004672678WA1-33AHEDGEPETH C M ET AL: "Activation of the Wnt signaling pathway: a molecular mechanism for lithium action.", DEVELOPMENTAL BIOLOGY. 1 MAY 1997, vol. 185, no. 1, 1 May 1997 (1997-05-01), pages 82 - 91, XP002326326, ISSN: 0012-1606HEDGEPETH C M ET ALActivation of the Wnt signaling pathway: a molecular mechanism for lithium action.DEVELOPMENTAL BIOLOGY. 1 MAY 19971997050118510012-16068291WX34-37XKLEIN P S ET AL: "A molecular mechanism for the effect of lithium on development.", PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 6 AUG 1996, vol. 93, no. 16, 6 August 1996 (1996-08-06), pages 8455 - 8459, XP002326327, ISSN: 0027-8424KLEIN P S ET ALA molecular mechanism for the effect of lithium on development.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. 6 AUG 19961996080693160027-842484558459AX34,37XSTAAL F J T ET AL: "WNT SIGNALS ARE TRANSMITTED THROUGH N-TERMINALLY DEPHOSPHORYLATED BETA-CATENIN", EMBO REPORTS, vol. 3, no. 1, January 2002 (2002-01-01), pages 63 - 68, XP001205224STAAL F J T ET ALWNT SIGNALS ARE TRANSMITTED THROUGH N-TERMINALLY DEPHOSPHORYLATED BETA-CATENINEMBO REPORTS20020131636863R364L165L2R2366L2X34-37Y38XYWODARZ A ET AL: "MECHANISMS OF WNT SIGNALING IN DEVELOPMENT", ANNUAL REVIEW OF CELL AND DEVELOPMENTAL BIOLOGY, ANNUAL REVIEWS, PALO ALTO, CA, US, vol. 14, 1988, pages 59 - 88, XP001012698, ISSN: 1081-0706WODARZ A ET ALMECHANISMS OF WNT SIGNALING IN DEVELOPMENTANNUAL REVIEW OF CELL AND DEVELOPMENTAL BIOLOGY, ANNUAL REVIEWS, PALO ALTO, CA, US1988141081-07065988A792803X34-37Y38XYNELSON W JAMES ET AL: "Convergence of Wnt, beta-catenin, and cadherin pathways.", SCIENCE. 5 MAR 2004, vol. 303, no. 5663, 5 March 2004 (2004-03-05), pages 1483 - 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WASHINGTON, US19959270027-842430463050WX52,54Y53,55XYFILIPAK M ET AL: "Tumor necrosis factor inhibits the terminal event in mesenchymal stem cell differentiation", MEDLINE ABSTRACT, JOURNAL OF CELLULAR PHYSIOLOGY, vol. 137, no. 2, 1988, XP002904585FILIPAK M ET ALTumor necrosis factor inhibits the terminal event in mesenchymal stem cell differentiationMEDLINE ABSTRACT, JOURNAL OF CELLULAR PHYSIOLOGY19881372WX56XKIELMAN M F ET AL: "Apc modulates embryonic stem-cell differentiation by controlling the dosage of beta-catenin signaling", NATURE GENETICS, NATURE AMERICA, NEW YORK, US, vol. 32, no. 4, 20 December 2002 (2002-12-20), pages 594 - 605, XP002233454, ISSN: 1061-4036KIELMAN M F ET ALApc modulates embryonic stem-cell differentiation by controlling the dosage of beta-catenin signalingNATURE GENETICS, NATURE AMERICA, NEW YORK, US200212203241061-4036594605WX56XWO03068961A2AXORDIA LTD [GB], et al20030821the whole document, but see especially SEQ. ID NO 49 (for SEQ: ID NO 1 as claimed) and SEQ ID NO 2 (for SEQ ID NO 3 as claimed)X70-79,90-96,104-110,116-127,138-144,152-158XUS6063583AMONTMINY MARC R [US]20000516col. 13-30X70-79,90-96,104-110XWO9918124A1MERCK & CO INC [US], et al19990415Wsee esp. Fig. 7aX80-89,97-103,111-117XPATENT ABSTRACTS OF JAPAN vol. 1999, no. 05 31 May 1999 (1999-05-31)PATENT ABSTRACTS OF JAPAN19990531199905JPH1132767AAClaim 3, pp. 13-14, Seq. with 567 amino acidsX80-89,97-103,111-117,128-137,145-151,159-165XWO02065134A2UNIV DUNDEE [GB], et al20020822claim 9, SEQ: ID NO 9X80-89,97-103,111-117XWO9803652A2US HEALTH [US], et al19980129see the whole document. Specifically, Seq ID NO 3 and Seq. ID NO 9, also claims 1-16X80-89,97-103,111-117,128-137,145-151,159-165XEP1302104A1CHUGAI PHARMACEUTICAL CO LTD [JP], et al20030416seq. ID No. 1, example 1X128-137,145-151,159-165X
  申请人：CHOONGWAE PHARMA CORP

  公开号：WO2005021025A3

  公开（公告）日：2005-07-07
• US3976643A
  申请人：——

  公开号：US3976643A

  公开（公告）日：1976-08-24
• [EN] REVERSE-TURN MIMETICS AND METHOD RELATING THERETO<br/>[FR] MIMETIQUES A ROTATION INVERSE ET PROCEDE ASSOCIE
  申请人：CHOONGWAE PHARMA CORP

  公开号：WO2005116032A3

  公开（公告）日：2006-04-13
• 一类具抗肿瘤活性的甘草查尔酮A二氢氨基嘧啶类化合物及其合成方法
  申请人：陕西科技大学

  公开号：CN106674129A

  公开（公告）日：2017-05-17

  本发明公开了一类具有抗肿瘤活性的甘草查尔酮A二氢氨基嘧啶类化合物及其合成方法，该类化合物以甘草查尔酮A、胍类化合物为原料，在乙醇作为溶剂下反应合成得到。该方法操作安全性高，反应条件温和，适用于工业化生产。经初步生物活性测试表明该类型化合物有较好的抗肿瘤活性，可用于抗肿瘤先导化合物的研究。