Desirudin

Name: Desirudin
Brand: Creative Peptides
SKU: 10-101-340
Availability: MadeToOrder

Desirudin is a synthetic recombinant form of the naturally occurring hirudin, the anticoagulant substance found in leech. Desirudin is a selective and almost irreversible inhibitor of thrombin, both free and clot-bound, by blocking its active site. This anticoagulant agent has no effect on other components of the hemostatic system. Desirudin is particularly used to prevent deep vein thrombosis in patients undergoing hip and knee replacement surgery.

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CAT No: 10-101-340

CAS No: 120993-53-5

Synonyms/Alias: Desirudin;120993-53-5;CGP 39393;CGP-39393;IK-HIR02;Revasc;UNII-U0JZ726775;63-Desulfohirudin (Hirudo medicinalis isoform HV1);DTXSID90153094;CGP39393;U0JZ726775;recombinant HV1 hirudin;Desirudin [USAN:INN:BAN];Hirudin desirudin;63-Desulfohirudin;DESIRUDIN (MART.);GTPL6458;DTXCID9075585;Hirudin (Hirudo medicinalis isoform HV1), 63-desulfo-;63-Desulfohirudin (recombinant);B01AE01;DA-52459;63-Desulfohirudin(Hirudo medicinalis isoform HV1);

Chemical Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(1R,6R,9S,12S,15S,18S,24S,27S,33S,36S,39R,44R,47S,53S,56S,59S,67S,73S,76S)-15,76-bis(4-aminobutyl)-44-[[(2S)-2-[[(4R,7S,10S,13S,19S,22S,25S,28R)-28-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-10-(2-amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-25-[(1R)-1-hydroxyethyl]-19-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-4-methylpentanoyl]amino]-12,56,73-tris(2-amino-2-oxoethyl)-9,67-bis(3-amino-3-oxopropyl)-36-[(2S)-butan-2-yl]-18,47-bis(2-carboxyethyl)-24-(carboxymethyl)-27,53-bis(hydroxymethyl)-33-(2-methylpropyl)-8,11,14,17,20,23,26,29,32,35,38,45,48,51,54,57,60,62,65,68,71,74,77-tricosaoxo-59-propan-2-yl-3,4,41,42-tetrathia-7,10,13,16,19,22,25,28,31,34,37,46,49,52,55,58,61,63,66,69,72,75,78-tricosazabicyclo[37.22.17]octaheptacontane-6-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

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M.F/Formula	C287H440N80O110S6
M.W/Mr.	6963
Sequence	One Letter Code:VVYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ Three Letter Code:H-Val-Val-Tyr-Thr-Asp-Cys(1)-Thr-Glu-Ser-Gly-Gln-Asn-Leu-Cys(1)-Leu-Cys(2)-Glu-Gly-Ser-Asn-Val-Cys(3)-Gly-Gln-Gly-Asn-Lys-Cys(2)-Ile-Leu-Gly-Ser-Asp-Gly-Glu-Lys-Asn-Gln-Cys(3)-Val-Thr-Gly-Glu-Gly-Thr-Pro-Lys-Pro-Gln-Ser-His-Asn-Asp-Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu-Gln-OH
Biological Activity	Desirudin, a recombinant hirudin, has identical amino acid sequence as the natural hirudin variant 1 but lacks the sulphate group on Tyr(63). Desirudin is particularly used to prevent deep vein thrombosis in patients undergoing hip and knee replacement surgery.

InChI	InChI=1S/C287H440N80O110S6/c1-25-133(19)226-281(470)345-161(87-125(3)4)235(424)306-111-208(395)320-180(116-370)266(455)344-175(101-219(415)416)237(426)307-105-202(389)316-151(62-75-212(401)402)242(431)321-145(41-30-33-81-288)240(429)339-170(96-197(297)384)258(447)326-152(57-70-193(293)380)249(438)351-185(121-481-478-118-182-239(428)310-107-201(388)313-147(55-68-191(291)378)232(421)303-108-205(392)317-169(95-196(296)383)257(446)322-146(42-31-34-82-289)241(430)350-186(271(460)360-226)122-482-479-119-183(268(457)323-149(61-74-211(399)400)234(423)304-110-207(394)319-179(115-369)265(454)342-173(99-200(300)387)264(453)357-223(130(13)14)279(468)355-182)352-253(442)164(90-128(9)10)335-269(458)184-120-480-483-123-187(354-262(451)177(103-221(419)420)347-283(472)230(137(23)374)362-263(452)167(93-141-49-53-144(377)54-50-141)346-278(467)224(131(15)16)359-276(465)222(301)129(11)12)272(461)363-229(136(22)373)282(471)330-157(66-79-216(409)410)248(437)348-178(114-368)238(427)309-106-203(390)315-150(56-69-192(292)379)243(432)340-171(97-198(298)385)259(448)334-163(89-127(7)8)252(441)353-184)270(459)358-225(132(17)18)280(469)364-228(135(21)372)277(466)311-112-204(391)314-148(60-73-210(397)398)233(422)305-113-209(396)356-231(138(24)375)286(475)367-86-38-46-190(367)275(464)331-159(43-32-35-83-290)284(473)365-84-36-44-188(365)273(462)328-153(58-71-194(294)381)247(436)349-181(117-371)267(456)338-168(94-142-104-302-124-312-142)256(445)341-172(98-199(299)386)260(449)343-174(100-218(413)414)236(425)308-109-206(393)318-176(102-220(417)418)261(450)337-165(91-139-39-28-27-29-40-139)254(443)327-154(63-76-213(403)404)244(433)325-158(67-80-217(411)412)250(439)361-227(134(20)26-2)285(474)366-85-37-45-189(366)274(463)329-156(65-78-215(407)408)245(434)324-155(64-77-214(405)406)246(435)336-166(92-140-47-51-143(376)52-48-140)255(444)333-162(88-126(5)6)251(440)332-160(287(476)477)59-72-195(295)382/h27-29,39-40,47-54,104,124-138,145-190,222-231,368-377H,25-26,30-38,41-46,55-103,105-123,288-290,301H2,1-24H3,(H2,291,378)(H2,292,379)(H2,293,380)(H2,294,381)(H2,295,382)(H2,296,383)(H2,297,384)(H2,298,385)(H2,299,386)(H2,300,387)(H,302,312)(H,303,421)(H,304,423)(H,305,422)(H,306,424)(H,307,426)(H,308,425)(H,309,427)(H,310,428)(H,311,466)(H,313,388)(H,314,391)(H,315,390)(H,316,389)(H,317,392)(H,318,393)(H,319,394)(H,320,395)(H,321,431)(H,322,446)(H,323,457)(H,324,434)(H,325,433)(H,326,447)(H,327,443)(H,328,462)(H,329,463)(H,330,471)(H,331,464)(H,332,440)(H,333,444)(H,334,448)(H,335,458)(H,336,435)(H,337,450)(H,338,456)(H,339,429)(H,340,432)(H,341,445)(H,342,454)(H,343,449)(H,344,455)(H,345,470)(H,346,467)(H,347,472)(H,348,437)(H,349,436)(H,350,430)(H,351,438)(H,352,442)(H,353,441)(H,354,451)(H,355,468)(H,356,396)(H,357,453)(H,358,459)(H,359,465)(H,360,460)(H,361,439)(H,362,452)(H,363,461)(H,364,469)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,417,418)(H,419,420)(H,476,477)/t133-,134-,135+,136+,137+,138+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-/m0/s1
InChI Key	XYWBJDRHGNULKG-OUMQNGNKSA-N
Canonical SMILES	CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC7=CN=CN7)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N9CCCC9C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C
Isomeric SMILES	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=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]2C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)[C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C

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