LB-30057 | CAS#184770-78-3 | oral thrombin inhibitor

MedKoo Cat#: 559034 | Name: LB-30057

Description:

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

LB-30057 is an oral thrombin inhibitor.

Chemical Structure

LB-30057

CAS#184770-78-3

Theoretical Analysis

MedKoo Cat#: 559034

Name: LB-30057

CAS#: 184770-78-3

Chemical Formula: C26H31N5O3S

Exact Mass: 493.2148

Molecular Weight: 493.62

Elemental Analysis: C, 63.26; H, 6.33; N, 14.19; O, 9.72; S, 6.49

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.

Bulk Inquiry

Related CAS #

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Synonym

LB-30057; PD-172524 free base; PD 172524 free base; PD172524 free base; LB-30057 free base; CI-1028 free base;

IUPAC/Chemical Name

(S)-N-(cyclopentylmethyl)-3-(4-(hydrazinyl(imino)methyl)phenyl)-2-(naphthalene-2-sulfonamido)propanamide

InChi Key

PBHWECIBKXMQSY-DEOSSOPVSA-N

InChi Code

InChI=1S/C26H31N5O3S/c27-25(30-28)21-11-9-18(10-12-21)15-24(26(32)29-17-19-5-1-2-6-19)31-35(33,34)23-14-13-20-7-3-4-8-22(20)16-23/h3-4,7-14,16,19,24,31H,1-2,5-6,15,17,28H2,(H2,27,30)(H,29,32)/t24-/m0/s1

SMILES Code

NNC(C1=CC=C(C[C@H](NS(=O)(C2=CC=C3C=CC=CC3=C2)=O)C(NCC4CCCC4)=O)C=C1)=N

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

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 493.62 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.

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: Stern R, Chanoine F, Criswell K. Are coagulation times biomarkers? Data from a phase I study of the oral thrombin inhibitor LB-30057 (CI-1028). J Clin Pharmacol. 2003 Feb;43(2):118-21. PubMed PMID: 12616662. 2: Chi L, Mertz TE, Rogers KL, Janiczek N, Peng YW, Saganek L, Bousley RF, Juneau PL, Uprichard AC, Gallagher KP. Antithrombotic effect of LB-30057 (CI-1028), a new synthetic thrombin inhibitor, in a rabbit model of thrombosis: comparison with inogatran. J Thromb Thrombolysis. 2001 Feb;11(1):19-31. PubMed PMID: 11248787. 3: Oh YS, Yun M, Hwang SY, Hong S, Shin Y, Lee K, Yoon KH, Yoo YJ, Kim DS, Lee SH, Lee YH, Park HD, Lee CH, Lee SK, Kim S. Discovery of LB30057, a benzamidrazone-based selective oral thrombin inhibitor. Bioorg Med Chem Lett. 1998 Mar 17;8(6):631-4. PubMed PMID: 9871573. 4: Jung BI, Kang KT, Bae ON, Lee MY, Chung SM, Lee SK, Kim IC, Chung JH. LB30057 inhibits platelet aggregation and vascular relaxation induced by thrombin. Arch Pharm Res. 2002 Dec;25(6):879-84. PubMed PMID: 12510842. 5: Park HD, Kim HJ, Oh YS, Kim IC, Kim YZ, Koh HC, Shin IC, Lee YH, Lee CH. LB30057, an orally effective direct thrombin inhibitor, prevents arterial and venous thrombosis in rats and dogs. Arch Pharm Res. 2003 Mar;26(3):224-31. PubMed PMID: 12723936. 6: Kang KT, Jung BI, Bae ON, Lee MY, Chung SM, Lee JY, Lee SK, Kim IC, Chung JH. Antithrombotic activity of LB30057, a newly synthesized direct thrombin inhibitor. Thromb Haemost. 2003 Jan;89(1):104-11. PubMed PMID: 12540960. 7: McClanahan TB, Hicks GW, Ignasiak DP, Bousley R, Mertz TE, Juneau P, Janiczek-Dolphin N, Kim IC, Gallagher KP. The antithrombotic effects of CI-1028, an orally bioavailable direct thrombin inhibitor, in a canine model of venous and arterial thrombosis. J Thromb Thrombolysis. 2000 Dec;10(3):277-84. PubMed PMID: 11122549.