Effective irreversible antagonist of αVβ3 integrin that disrupts attachment of osteoclasts to bone and inhibits bone reabsorption (IC50 = 0.1 nM).
Registration of APIs CMC information required for an IND
IND and NDA support Drug master files (DMF) filing
M.F/Formula | C217H341N71O74S9 |
M.W/Mr. | 5417.1 |
Sequence | ECESGPCCRNCKFLKEGTICKRARGDDMDDYCNGKTCDCPRNPHKGPAT(Disulfide bridge between Cys2 and Cys11, Cys7 and Cys32, Cys8 and Cys37, Cys20 and Cys39) |
Labeling Target | αVβ3 integrin |
Appearance | White lyophilised solid |
Purity | >98% |
Activity | Antagonist |
InChI | InChI=1S/C217H341N71O74S9/c1-11-102(4)166-208(356)278-143-97-370-371-99-145(212(360)288-71-32-46-148(288)206(354)260-121(43-28-67-239-217(233)234)183(331)271-136(79-152(226)296)211(359)287-70-31-47-149(287)207(355)270-128(76-110-85-235-100-245-110)190(338)251-113(35-15-20-59-218)174(322)243-89-156(300)285-68-29-44-146(285)204(352)247-104(6)171(319)284-169(107(9)292)213(361)362)280-196(344)135(84-165(316)317)269-202(350)144-98-369-366-94-140-199(347)256-120(42-27-66-238-216(231)232)182(330)265-130(78-151(225)295)191(339)275-139(198(346)255-118(39-19-24-63-222)181(329)262-126(74-108-33-13-12-14-34-108)188(336)261-125(73-101(2)3)187(335)253-116(37-17-22-61-220)180(328)257-122(53-56-159(304)305)175(323)241-88-155(299)281-167(105(7)290)210(358)282-166)93-365-364-92-138(273-172(320)112(223)52-55-158(302)303)197(345)258-123(54-57-160(306)307)184(332)272-137(91-289)177(325)244-90-157(301)286-69-30-45-147(286)205(353)277-142(203(351)276-140)96-368-367-95-141(201(349)264-129(77-150(224)294)176(324)242-86-153(297)248-115(36-16-21-60-219)186(334)283-168(106(8)291)209(357)279-144)274-189(337)127(75-109-48-50-111(293)51-49-109)263-194(342)134(83-164(314)315)268-195(343)133(82-163(312)313)266-185(333)124(58-72-363-10)259-193(341)132(81-162(310)311)267-192(340)131(80-161(308)309)249-154(298)87-240-173(321)114(40-25-64-236-214(227)228)250-170(318)103(5)246-178(326)119(41-26-65-237-215(229)230)252-179(327)117(254-200(143)348)38-18-23-62-221/h12-14,33-34,48-51,85,100-107,112-149,166-169,289-293H,11,15-32,35-47,52-84,86-99,218-223H2,1-10H3,(H2,224,294)(H2,225,295)(H2,226,296)(H,235,245)(H,240,321)(H,241,323)(H,242,324)(H,243,322)(H,244,325)(H,246,326)(H,247,352)(H,248,297)(H,249,298)(H,250,318)(H,251,338)(H,252,327)(H,253,335)(H,254,348)(H,255,346)(H,256,347)(H,257,328)(H,258,345)(H,259,341)(H,260,354)(H,261,336)(H,262,329)(H,263,342)(H,264,349)(H,265,330)(H,266,333)(H,267,340)(H,268,343)(H,269,350)(H,270,355)(H,271,331)(H,272,332)(H,273,320)(H,274,337)(H,275,339)(H,276,351)(H,277,353)(H,278,356)(H,279,357)(H,280,344)(H,281,299)(H,282,358)(H,283,334)(H,284,319)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,361,362)(H4,227,228,236)(H4,229,230,237)(H4,231,232,238)(H4,233,234,239) |
InChI Key | KZMZKUVIDVBQGX-UHFFFAOYSA-N |
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