cAC 253 acetate
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cAC 253 acetate

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cAC 253 acetate is an antagonist of amylin, inhibiting 125I adrenomedullin binding with an IC50 value of 25 nM.

Category
Peptide Inhibitors
Catalog number
BAT-016455
Molecular Formula
C128H206N42O42S2
Molecular Weight
3069.39
cAC 253 acetate
IUPAC Name
acetic acid;3-[45-amino-59,71-bis(2-amino-2-oxoethyl)-9,27-bis(3-amino-3-oxopropyl)-15,36,77-tris(3-carbamimidamidopropyl)-50-carbamoyl-6,56,68,74-tetrakis(1-hydroxyethyl)-30,62-bis(hydroxymethyl)-3,53-bis[(4-hydroxyphenyl)methyl]-18-(1H-imidazol-4-ylmethyl)-12,21,33,42-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,70,73,76,79-pentacosaoxo-47,48-dithia-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,69,72,75,78-pentacosazabicyclo[78.3.0]trioctacontan-24-yl]propanoic acid
Appearance
Solid
Purity
>98.0%
Storage
Store at -20°C
InChI
InChI=1S/C126H202N42O40S2.C2H4O2/c1-56(2)39-76-102(187)143-49-93(181)146-70(17-13-35-140-124(133)134)103(188)154-79(42-59(7)8)111(196)162-86(52-170)117(202)151-73(29-32-89(128)177)105(190)149-75(31-34-95(183)184)106(191)156-78(41-58(5)6)110(195)157-81(45-66-48-139-55-145-66)113(198)148-71(18-14-36-141-125(135)136)104(189)155-77(40-57(3)4)109(194)150-74(30-33-90(129)178)108(193)166-99(63(12)174)122(207)161-84(44-65-23-27-68(176)28-24-65)123(208)168-38-16-20-88(168)118(203)152-72(19-15-37-142-126(137)138)107(192)165-97(61(10)172)121(206)160-83(47-92(131)180)115(200)164-96(60(9)171)119(204)144-50-94(182)147-85(51-169)116(201)158-82(46-91(130)179)114(199)167-98(62(11)173)120(205)159-80(43-64-21-25-67(175)26-22-64)112(197)163-87(100(132)185)54-210-209-53-69(127)101(186)153-76;1-2(3)4/h21-28,48,55-63,69-88,96-99,169-176H,13-20,29-47,49-54,127H2,1-12H3,(H2,128,177)(H2,129,178)(H2,130,179)(H2,131,180)(H2,132,185)(H,139,145)(H,143,187)(H,144,204)(H,146,181)(H,147,182)(H,148,198)(H,149,190)(H,150,194)(H,151,202)(H,152,203)(H,153,186)(H,154,188)(H,155,189)(H,156,191)(H,157,195)(H,158,201)(H,159,205)(H,160,206)(H,161,207)(H,162,196)(H,163,197)(H,164,200)(H,165,192)(H,166,193)(H,167,199)(H,183,184)(H4,133,134,140)(H4,135,136,141)(H4,137,138,142);1H3,(H,3,4)
InChI Key
ABNWEBRJBIGVSL-UHFFFAOYSA-N
Canonical SMILES
CC(C)CC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)N)C(=O)N)CC3=CC=C(C=C3)O)C(C)O)CC(=O)N)CO)C(C)O)CC(=O)N)C(C)O)CCCNC(=N)N)CC4=CC=C(C=C4)O)C(C)O)CCC(=O)N)CC(C)C)CCCNC(=N)N)CC5=CNC=N5)CC(C)C)CCC(=O)O)CCC(=O)N)CO)CC(C)C)CCCNC(=N)N.CC(=O)O
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