Leconotide - CAS 247207-64-3

Leconotide is a calcium channel blocker and antihyperalgesia agent; isolated from the venom of the cone snail, Conus catus.

Catalog Number: I030610

CAS Number: 247207-64-3

Molecular Formula: C107H179N35O36S7

Molecular Weight:2756.24

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

SynonymsLeconotide; AM 336; AM336; AM-336; CNSB-004; CNSB 004; CNSB004

Property

Molecular Formula: C107H179N35O36S7
Molecular Weight2756.24
SolubilitySoluble in DMSO
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC Name(6S,12S,15S,21S,24R,27S,33S,36R,39R,42S)-1-amino-6-(((R)-1-amino-1-oxo-3-thioxopropan-2-yl)carbamoyl)-42-((2S,5S,8S,11S,14S,17R,20S,23S,29S,32S,35S,38R)-38-amino-11,20,29,35-tetrakis(4-aminobutyl)-2-(4-hydroxybenzyl)-14,32-bis(hydroxymethyl)-8-isobutyl-39-mercapto-17-(mercaptomethyl)-23-methyl-5-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazanonatriacontanamido)-15-((R)-1-hydroxyethyl)-21,27,33-tris(hydroxymethyl)-1-imino-12-isopropyl-39-(mercaptomethyl)-8,11,14,17,20,23,26,29,32,35,38,41-dodecaoxo-24,36-dithioformyl-2,7,10,13,16,19,22,25,28,31,34,37,40-tridecaazatetratetracontan-44-oic acid
InChIInChI=1S/C107H179N35O36S7/c1-51(2)33-64(129-91(163)62(20-11-15-30-111)127-100(172)71(44-147)135-103(175)73(47-181)137-93(165)60(18-9-13-28-109)124-85(157)53(5)121-77(150)36-117-87(159)58(17-8-12-27-108)126-99(171)70(43-146)134-92(164)61(19-10-14-29-110)125-86(158)57(112)45-179)95(167)128-63(26-32-185-7)94(166)130-65(34-55-22-24-56(149)25-23-55)96(168)131-66(35-81(154)155)97(169)138-76(50-184)104(176)140-75(49-183)102(174)133-67(40-143)88(160)118-37-79(152)123-69(42-145)98(170)139-74(48-182)101(173)132-68(41-144)89(161)119-39-80(153)141-83(54(6)148)106(178)142-82(52(3)4)105(177)120-38-78(151)122-59(21-16-31-116-107(114)115)90(162)136-72(46-180)84(113)156/h22-25,46,48-49,51-54,57-76,82-83,143-149,179,181,184H,8-21,26-45,47,50,108-112H2,1-7H3,(H2,113,156)(H,117,159)(H,118,160)(H,119,161)(H,120,177)(H,121,150)(H,122,151)(H,123,152)(H,124,157)(H,125,158)(H,126,171)(H,127,172)(H,128,167)(H,129,163)(H,130,166)(H,131,168)(H,132,173)(H,133,174)(H,134,164)(H,135,175)(H,136,162)(H,137,165)(H,138,169)(H,139,170)(H,140,176)(H,141,153)(H,142,178)(H,154,155)(H4,114,115,116)/t53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-,83-/m0/s1
InChIKeyHBMCYCKNGADUQP-CFIKXUEXSA-N
SMILESCSCC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N)=O)C=S)=O)CCCNC(N)=N)=O)=O)C(C)C)=O)[C@H](O)C)=O)=O)CO)=O)C=S)=O)CO)=O)=O)CO)=O)C=S)=O)CS)=O)CC(O)=O)=O)Cc1ccc(O)cc1)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CS)N)=O)CCCCN)=O)CO)=O)CCCCN)=O)=O)C)=O)CCCCN)=O)CS)=O)CO)=O)CCCCN)=O)CC(C)C)=O