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MedKoo Cat#: 598096 | Name: IRL-3630

Description:

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

IRL 3460 is an enantiomer.

Chemical Structure

IRL-3630
IRL-3630
CAS#173189-01-0

Theoretical Analysis

MedKoo Cat#: 598096

Name: IRL-3630

CAS#: 173189-01-0

Chemical Formula: C31H40N4O6S

Exact Mass: 596.2669

Molecular Weight: 596.74

Elemental Analysis: C, 62.40; H, 6.76; N, 9.39; O, 16.09; S, 5.37

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
IRL-3630; IRL 3630; IRL3630;
IUPAC/Chemical Name
N-((R)-1-(N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)butylsulfonamido)-3-(4-(isoxazol-5-yl)phenyl)-1-oxopropan-2-yl)-N,3,5-trimethylbenzamide
InChi Key
DWRROFDJWVYOHG-IAPPQJPRSA-N
InChi Code
InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)35(28(20(2)3)29(32)36)31(38)26(34(6)30(37)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-33-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H2,32,36)/t26-,28+/m1/s1
SMILES Code
CC(C)[C@@H](C(N)=O)N(C([C@@H](CC1=CC=C(C2=CC=NO2)C=C1)N(C(C3=CC(C)=CC(C)=C3)=O)C)=O)S(=O)(CCCC)=O
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

Preparing Stock Solutions

The following data is based on the product molecular weight 596.74 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: Sakaki J, Murata T, Yuumoto Y, Nakamura I, Hayakawa K. Stereoselective synthesis of a novel and bifunctional endothelin antagonist, IRL 3630. Bioorg Med Chem Lett. 1998 Aug 18;8(16):2247-52. PubMed PMID: 9873522. 2: Sakaki J, Murata T, Yuumoto Y, Nakamura I, Trueh T, Pitterna T, Iwasaki G, Oda K, Yamamura T, Hayakawa K. Discovery of IRL 3461: a novel and potent endothelin antagonist with balanced ETA/ETB affinity. Bioorg Med Chem Lett. 1998 Aug 18;8(16):2241-6. PubMed PMID: 9873521. 3: Makatani M, Fujitani Y, Takimoto M, Oda K, Sasaki Y, Hori S, Inui T, Sakaki J, Okada T, Hoshiko K, Yamamura T. Effect of a novel bifunctional endothelin receptor antagonist, IRL 3630A, on guinea pig respiratory mechanics. Eur J Pharmacol. 2000 Oct 6;406(1):139-47. PubMed PMID: 11011045.