Huwentoxin XVI

Huwentoxin XVI, an analgesic, is a highly reversible and selective mammalian N-type calcium channel (IC50 of ~60 nM) antagonist from Chinese tarantula Ornithoctonus huwena. Huwentoxin XVI has no effect on voltagegated T-type calcium channels, potassium channels or sodium channels.

Product information

CAS Number: 1600543-88-1

Molecular Weight: 4437.11

Formula: C196H292N50O56S6

Chemical Name: 6-amino-2-[6-amino-2-(2-{[102-amino-7,37-bis(4-aminobutyl)-28,99-bis(butan-2-yl)-57-(3-carbamimidamidopropyl)-69-(carbamoylmethyl)-72,93-bis(2-carboxyethyl)-66,75-bis(carboxymethyl)-16-(1-hydroxyethyl)-40,110-bis(hydroxymethyl)-34,43,46-tris[(4-hydroxyphenyl)methyl]-22-[(1H-imidazol-4-yl)methyl]-31-[(1H-indol-3-yl)methyl]-4,19,116-tris(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,41,44,47,56,59,65,68,71,74,77,80,86,89,92,95,98,101,108,111,114,117,120,127-pentatriacontaoxo-87,119-bis(propan-2-yl)-51,52,104,105,123,124-hexathia-3,6,9,15,18,21,24,27,30,33,36,39,42,45,48,55,58,64,67,70,73,76,79,85,88,91,94,97,100,109,112,115,118,121,126-pentatriacontaazahexacyclo[76.43.4.2⁵⁴,¹⁰⁷.0⁹,¹³.0⁶⁰,⁶⁴.0⁸¹,⁸⁵]127n-49-yl]formamido}-3-(4-hydroxyphenyl)propanamido)hexanamido]hexanoic acid

Smiles: CC(O)C1NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C2CSSCC3NC(=O)C4CCCN4C(=O)C(NC(=O)CNC(=O)C(CCC(O)=O)NC(=O)CNC(=O)C(NC(=O)C(N)CSSCC(NC(=O)C(CSSCC(NC(=O)C(CC4C=CC(O)=CC=4)NC(=O)C(CC4C=CC(O)=CC=4)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC4C=CC(O)=CC=4)NC(=O)C(CC4=CNC5=CC=CC=C45)NC(=O)C(NC(=O)CNC(=O)C(CC4=CNC=N4)NC(=O)C(CC(C)C)NC1=O)C(C)CC)C(=O)NC(CC1C=CC(O)=CC=1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(CC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC3=O)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N2)C(C)CC)C(C)C

InChiKey: JEUFUDFTZMBKGH-UHFFFAOYSA-N

InChi: InChI=1S/C196H292N50O56S6/c1-16-102(13)158-188(294)211-85-148(255)213-121(58-60-152(259)260)162(268)208-86-150(257)239-157(101(11)12)194(300)246-69-31-40-145(246)186(292)237-142-94-307-308-95-143-182(288)221-126(71-98(5)6)169(275)219-123(36-22-26-64-199)192(298)244-67-30-41-146(244)187(293)243-160(104(15)249)191(297)229-127(72-99(7)8)170(276)226-133(78-110-83-205-96-212-110)163(269)209-87-151(258)240-159(103(14)17-2)190(296)230-132(77-109-82-207-117-33-19-18-32-115(109)117)175(281)223-128(73-105-42-50-111(250)51-43-105)171(277)216-119(35-21-25-63-198)166(272)233-138(89-248)179(285)224-130(75-107-46-54-113(252)55-47-107)173(279)222-131(76-108-48-56-114(253)57-49-108)174(280)235-139(180(286)225-129(74-106-44-52-112(251)53-45-106)172(278)215-118(34-20-24-62-197)165(271)220-124(195(301)302)37-23-27-65-200)92-305-306-93-141(184(290)236-140(91-304-303-90-116(201)161(267)242-158)183(289)232-137(88-247)164(270)210-84-149(256)214-125(70-97(3)4)178(284)241-156(100(9)10)189(295)238-143)234-167(273)120(38-28-66-206-196(203)204)218-185(291)144-39-29-68-245(144)193(299)136(81-155(265)266)231-176(282)134(79-147(202)254)227-168(274)122(59-61-153(261)262)217-177(283)135(80-154(263)264)228-181(142)287/h18-19,32-33,42-57,82-83,96-104,116,118-146,156-160,207,247-253H,16-17,20-31,34-41,58-81,84-95,197-201H2,1-15H3,(H2,202,254)(H,205,212)(H,208,268)(H,209,269)(H,210,270)(H,211,294)(H,213,255)(H,214,256)(H,215,278)(H,216,277)(H,217,283)(H,218,291)(H,219,275)(H,220,271)(H,221,288)(H,222,279)(H,223,281)(H,224,285)(H,225,286)(H,226,276)(H,227,274)(H,228,287)(H,229,297)(H,230,296)(H,231,282)(H,232,289)(H,233,272)(H,234,273)(H,235,280)(H,236,290)(H,237,292)(H,238,295)(H,239,257)(H,240,258)(H,241,284)(H,242,267)(H,243,293)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,301,302)(H4,203,204,206)

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

Products are for research use only. Not for human use.