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MedKoo Cat#: 413513 | Name: Deltibant

Description:

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

Deltibantis a bradykinin receptor antagonist.

Chemical Structure

Deltibant
Deltibant
CAS#140661-97-8

Theoretical Analysis

MedKoo Cat#: 413513

Name: Deltibant

CAS#: 140661-97-8

Chemical Formula: C128H194N40O28S2

Exact Mass: 2803.4428

Molecular Weight: 2805.33

Elemental Analysis: C, 54.80; H, 6.97; N, 19.97; O, 15.97; S, 2.29

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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Related CAS #
No Data
Synonym
Deltibant; UNII-6151J4V7VX
IUPAC/Chemical Name
L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-S-(1-(6-(3-mercapto-2,5-dioxo-1-pyrrolidinyl)hexyl)-2,5-dioxo-3-pyrrolidinyl)-L-cysteinyl-L-phenylalanyl-L-seryl-D-phenylalanyl-L-leucyl-, (5-5')-sulfide with D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-L-cysteinyl-L-phenylalanyl-L-seryl-D-phenylalanyl-L-leucyl-L-arginine
InChi Key
JKUYFMHGTOPVMR-WQVVEKGHSA-N
InChi Code
InChI=1S/C128H194N40O28S2/c1-71(2)55-85(105(177)155-83(121(193)194)41-25-49-147-127(139)140)157-109(181)89(59-75-33-15-9-16-34-75)159-111(183)91(161-107(179)87(57-73-29-11-7-12-30-73)151-99(171)65-149-113(185)95-61-77(169)67-167(95)117(189)93-43-27-53-163(93)115(187)81(39-23-47-145-125(135)136)153-103(175)79(129)37-21-45-143-123(131)132)69-197-97-63-101(173)165(119(97)191)51-19-5-6-20-52-166-102(174)64-98(120(166)192)198-70-92(112(184)160-90(60-76-35-17-10-18-36-76)110(182)158-86(56-72(3)4)106(178)156-84(122(195)196)42-26-50-148-128(141)142)162-108(180)88(58-74-31-13-8-14-32-74)152-100(172)66-150-114(186)96-62-78(170)68-168(96)118(190)94-44-28-54-164(94)116(188)82(40-24-48-146-126(137)138)154-104(176)80(130)38-22-46-144-124(133)134/h7-18,29-36,71-72,77-98,169-170H,5-6,19-28,37-70,129-130H2,1-4H3,(H,149,185)(H,150,186)(H,151,171)(H,152,172)(H,153,175)(H,154,176)(H,155,177)(H,156,178)(H,157,181)(H,158,182)(H,159,183)(H,160,184)(H,161,179)(H,162,180)(H,193,194)(H,195,196)(H4,131,132,143)(H4,133,134,144)(H4,135,136,145)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)/t77-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89-,90-,91+,92+,93+,94+,95+,96+,97-,98+/m1/s1
SMILES Code
CC(C[C@@H](C(N[C@H](C(O)=O)CCCNC(N)=N)=O)NC([C@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H]1C[C@H](CN1C([C@@H]2CCCN2C([C@@H](NC([C@@H](CCCNC(N)=N)N)=O)CCCNC(N)=N)=O)=O)O)=O)=O)Cc3ccccc3)=O)CS[C@H]4CC(N(C4=O)CCCCCCN5C(C[C@H](C5=O)SC[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(O)=O)CCCNC(N)=N)=O)CC(C)C)=O)Cc6ccccc6)=O)NC([C@@H](NC(CNC([C@@H]7C[C@H](CN7C([C@@H]8CCCN8C([C@@H](NC([C@@H](CCCNC(N)=N)N)=O)CCCNC(N)=N)=O)=O)O)=O)=O)Cc9ccccc9)=O)=O)=O)=O)Cc%10ccccc%10)=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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
to be determined
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
Solvent mg/mL mM
Solubility
To be determined 0.0 0.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 2,805.33 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: Fein AM, Bernard GR, Criner GJ, Fletcher EC, Good JT Jr, Knaus WA, Levy H, Matuschak GM, Shanies HM, Taylor RW, Rodell TC. Treatment of severe systemic inflammatory response syndrome and sepsis with a novel bradykinin antagonist, deltibant (CP-0127). Results of a randomized, double-blind, placebo-controlled trial. CP-0127 SIRS and Sepsis Study Group. JAMA. 1997 Feb 12;277(6):482-7. PMID: 9020273. 2: McConeghy KW, Hatton J, Hughes L, Cook AM. A review of neuroprotection pharmacology and therapies in patients with acute traumatic brain injury. CNS Drugs. 2012 Jul 1;26(7):613-36. doi: 10.2165/11634020-000000000-00000. PMID: 22668124. 3: Marmarou A, Nichols J, Burgess J, Newell D, Troha J, Burnham D, Pitts L. Effects of the bradykinin antagonist Bradycor (deltibant, CP-1027) in severe traumatic brain injury: results of a multi-center, randomized, placebo- controlled trial. American Brain Injury Consortium Study Group. J Neurotrauma. 1999 Jun;16(6):431-44. doi: 10.1089/neu.1999.16.431. PMID: 10391361. 4: Dimitropoulou C, Chatterjee A, McCloud L, Yetik-Anacak G, Catravas JD. Angiotensin, bradykinin and the endothelium. Handb Exp Pharmacol. 2006;(176 Pt 1):255-94. doi: 10.1007/3-540-32967-6_8. PMID: 16999222. 5: Hirayama Y, Kayakiri H. [Bradykinin antagonist: current status and perspective]. Nihon Yakurigaku Zasshi. 2002 Jan;119(1):45-53. Japanese. doi: 10.1254/fpj.119.45. PMID: 11862756. 6: Ker K, Blackhall K. Beta-2 receptor antagonists for acute traumatic brain injury. Cochrane Database Syst Rev. 2008 Jan 23;2008(1):CD006686. doi: 10.1002/14651858.CD006686.pub2. PMID: 18254109; PMCID: PMC7387850. 7: Rodell TC. The kallikrein/kinin system and kinin antagonists in trauma. Immunopharmacology. 1996 Jun;33(1-3):279-83. doi: 10.1016/0162-3109(96)00071-9. PMID: 8856162. 8: Wheaton P, Mathias JL, Vink R. Impact of early pharmacological treatment on cognitive and behavioral outcome after traumatic brain injury in adults: a meta- analysis. J Clin Psychopharmacol. 2009 Oct;29(5):468-77. doi: 10.1097/JCP.0b013e3181b66f04. PMID: 19745647. 9: Cheronis JC, Whalley ET. Kinin antagonists. Lancet. 1991 Oct 19;338(8773):1011. doi: 10.1016/0140-6736(91)91868-u. PMID: 1681311. 10: Siebeck M, Spannagl E, Schorr M, Stumpf B, Fritz H, Whalley ET, Cheronis JC. Effect of combined B1 and B2 kinin receptor blockade in porcine endotoxin shock. Immunopharmacology. 1996 Jun;33(1-3):81-4. doi: 10.1016/0162-3109(96)00060-4. PMID: 8856119.

View History

DMJ-I-228

DMJ-I-228