CAS 2853605-24-8

Formula: C146H232N52O44S6

InChI: InChI=1S/C146H232N52O44S6/c1-12-69(6)109-135(237)170-59-102(205)173-78(28-18-40-159-141(147)148)119(221)181-84(48-68(4)5)124(226)189-93-63-244-245-64-94-131(233)177-79(29-19-41-160-142(149)150)118(220)172-73(10)114(216)196-112(74(11)201)138(240)180-82(32-22-44-163-145(155)156)122(224)182-86(49-75-26-16-15-17-27-75)126(228)188-92-62-243-247-66-96(191-128(230)89(53-108(213)214)185-129(231)91(61-200)186-127(229)88(52-107(211)212)184-121(223)81(31-21-43-162-144(153)154)176-120(222)80(178-130(93)232)30-20-42-161-143(151)152)139(241)197-46-24-34-98(197)133(235)169-56-101(204)171-72(9)113(215)187-95(132(234)195-111(71(8)14-3)137(239)190-94)65-246-248-67-97(140(242)198-47-25-35-99(198)134(236)179-83(123(225)194-109)33-23-45-164-146(157)158)192-136(238)110(70(7)13-2)193-105(208)55-165-100(203)54-166-115(217)87(51-106(209)210)183-125(227)85(50-76-36-38-77(202)39-37-76)174-103(206)57-167-116(218)90(60-199)175-104(207)58-168-117(92)219/h15-17,26-27,36-39,68-74,78-99,109-112,199-202H,12-14,18-25,28-35,40-67H2,1-11H3,(H,165,203)(H,166,217)(H,167,218)(H,168,219)(H,169,235)(H,170,237)(H,171,204)(H,172,220)(H,173,205)(H,174,206)(H,175,207)(H,176,222)(H,177,233)(H,178,232)(H,179,236)(H,180,240)(H,181,221)(H,182,224)(H,183,227)(H,184,223)(H,185,231)(H,186,229)(H,187,215)(H,188,228)(H,189,226)(H,190,239)(H,191,230)(H,192,238)(H,193,208)(H,194,225)(H,195,234)(H,196,216)(H,209,210)(H,211,212)(H,213,214)(H4,147,148,159)(H4,149,150,160)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t69-,70-,71-,72-,73-,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,109-,110-,111-,112-/m0/s1

InChI key: RIJWOHFMKCDBCT-BAJQEGPHSA-N

SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1)CC(=O)O)CC5=CC=C(C=C5)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCNC(=N)N)C)[C@@H](C)O)CCCNC(=N)N)CC6=CC=CC=C6)C(=O)N7CCC[C@H]7C(=O)NCC(=O)N[C@H](C(=O)N3)C)CC(=O)O)CO)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C2=O)CCCNC(=N)N)[C@@H](C)CC)CCCNC(=N)N)CC(C)C)[C@@H](C)CC

cMCoFx1

CAS: 2853605-24-8

cMCoFx1 is an effective and selective FXIIa cyclic peptide inhibitor. It exhibits high binding affinity for FXIIa (KD: 900 pM) and potent inhibitory activity (Ki: 370 pM). cMCoFx1 effectively suppresses the intrinsic coagulation pathway, demonstrates high stability in serum, and shows no cytotoxicity.

Formula: C₁₄₆H₂₃₂N₅₂O₄₄S₆

Color and Shape: Solid

Molecular weight: 3612.12

Ref: TM-TP2974