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MedKoo Cat#: 412648 | Name: Desirudin

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Desirudin is 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.

Chemical Structure

Desirudin
Desirudin
CAS#120993-53-5

Theoretical Analysis

MedKoo Cat#: 412648

Name: Desirudin

CAS#: 120993-53-5

Chemical Formula: C287H440N80O110S6

Exact Mass: 6958.9620

Molecular Weight: 6963.49

Elemental Analysis: C, 49.50; H, 6.37; N, 16.09; O, 25.27; S, 2.76

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
Desirudin; CGP39393; CGP 39393; CGP-39393
IUPAC/Chemical Name
Hirudin (Hirudo medicinalis isoform HV1), 63-desulfo-
InChi Key
XYWBJDRHGNULKG-OUMQNGNKSA-N
InChi Code
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
SMILES Code
CC[C@@H]([C@@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCC(N)=O)=O)CC(C)C)=O)Cc2ccc(O)cc2)=O)CCC(O)=O)=O)CCC(O)=O)=O)=O)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](NC([C@@H](NC([C@@H]3CCCN3C([C@@H](NC([C@@H]4CCCN4C([C@H]([C@H](O)C)NC(CNC([C@@H](NC(CNC([C@H]([C@H](O)C)NC([C@H](C(C)C)NC([C@@H]5CSSC[C@@H]6NC([C@H](C(C)C)NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]7CSSC[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(N7)=O)CC(C)C)=O)CC(N)=O)=O)CCC(N)=O)=O)=O)CO)=O)CCC(O)=O)=O)[C@H](O)C)=O)NC([C@@H](NC([C@H]([C@H](O)C)NC([C@@H](NC([C@H](C(C)C)NC([C@H](C(C)C)N)=O)=O)Cc8ccc(O)cc8)=O)=O)CC(O)=O)=O)=O)CC(C)C)=O)CSSCC(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[C@H](C(N[C@H](C(N5)=O)CCC(N)=O)=O)CC(N)=O)=O)CCCCN)=O)CCC(O)=O)=O)=O)CC(O)=O)=O)CO)=O)=O)CC(C)C)=O)[C@H](CC)C)=O)NC(C(NC(C(NC(CNC(C(NC(CNC6=O)=O)CCC(N)=O)=O)=O)CC(N)=O)=O)CCCCN)=O)=O)CCC(O)=O)=O)=O)CO)=O)CC(N)=O)=O)=O)=O)=O)=O)=O)CCC(O)=O)=O)=O)=O)=O)CCCCN)=O)=O)CCC(N)=O)=O)CO)=O)Cc9[nH]cnc9)=O)CC(N)=O)=O)CC(O)=O)=O)=O)CC(O)=O)=O)Cc%10ccccc%10)=O)CCC(O)=O)=O)CCC(O)=O)=O)C
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 6,963.49 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012–. Desirudin. 2018 Jan 3. PMID: 31644059. 2: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006–. Desirudin. 2020 Nov 16. PMID: 29999832. 3: Graetz TJ, Tellor BR, Smith JR, Avidan MS. Desirudin: a review of the pharmacology and clinical application for the prevention of deep vein thrombosis. Expert Rev Cardiovasc Ther. 2011 Sep;9(9):1101-9. doi: 10.1586/erc.11.131. PMID: 21932952. 4: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012–. Antithrombotic Agents. 2020 Sep 25. PMID: 31643990. 5: Levin LA, Bergqvist D. Cost effectiveness of desirudin compared with a low molecular weight heparin in the prevention of deep vein thrombosis after total hip replacement surgery. Pharmacoeconomics. 2001;19(5 Pt 2):589-97. doi: 10.2165/00019053-200119050-00012. PMID: 11465303. 6: Matheson AJ, Goa KL. Desirudin: a review of its use in the management of thrombotic disorders. Drugs. 2000 Sep;60(3):679-700. doi: 10.2165/00003495-200060030-00012. PMID: 11030473. 7: Bergese SD, Minkowitz HS, Arpino PA, Sane DC, Levy JH. Multicenter trial of desirudin for the prophylaxis of thrombosis: an alternative to heparin-based anticoagulation (DESIR-ABLE). Clin Appl Thromb Hemost. 2013 Jul- Aug;19(4):418-23. doi: 10.1177/1076029612452779. Epub 2012 Jul 15. PMID: 22802554. 8: Jove M, Maslanka M, Minkowitz HS, Jaffer AK; DESIR-ABLE Investigators. Safety of desirudin in thrombosis prevention after total knee arthroplasty: the DESIR- ABLE study. Am J Ther. 2014 Nov-Dec;21(6):496-9. doi: 10.1097/MJT.0b013e3182691778. PMID: 23344102. 9: Vranckx P, Valgimigli M, Serruys P. Looking back into the future: desirudin in acute coronary syndromes and coronary stenting. EuroIntervention. 2011 Jun;7(2):263-9. doi: 10.4244/EIJV7I2A42. PMID: 21646070. 10: Avidan MS, Smith JR, Skrupky LP, Hill L, Jacobsohn E, Burnside B, Tymkew H, Eby C, Damiano R, Despotis GJ. The occurrence of antibodies to heparin-platelet factor 4 in cardiac and thoracic surgical patients receiving desirudin or heparin for postoperative venous thrombosis prophylaxis. Thromb Res. 2011 Dec;128(6):524-9. doi: 10.1016/j.thromres.2011.05.025. Epub 2011 Jul 26. PMID: 21794899.