KNI 727 | CAS#189357-33-3

MedKoo Cat#: 535080 | Name: KNI 727

Description:

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

KNI 727 is a bioactive chemical.

Chemical Structure

KNI 727

CAS#189357-33-3

Theoretical Analysis

MedKoo Cat#: 535080

Name: KNI 727

CAS#: 189357-33-3

Chemical Formula: C30H41N3O5S

Exact Mass: 555.2767

Molecular Weight: 555.73

Elemental Analysis: C, 64.84; H, 7.44; N, 7.56; O, 14.39; S, 5.77

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

KNI 727; KNI-727; KNI727

IUPAC/Chemical Name

Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-((2S,3S)-3-(((2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4R)-

InChi Key

SAEJWQXLVXQODG-HHLZILCFSA-N

InChi Code

InChI=1S/C30H41N3O5S/c1-19-12-11-13-20(2)25(19)38-17-23(34)31-22(16-21-14-9-8-10-15-21)24(35)27(37)33-18-30(6,7)39-28(33)26(36)32-29(3,4)5/h8-15,22,24,28,35H,16-18H2,1-7H3,(H,31,34)(H,32,36)/t22-,24-,28?/m0/s1

SMILES Code

CC1(C)CN(C([C@@H](O)[C@@H](NC(COC2=C(C)C=CC=C2C)=O)CC3=CC=CC=C3)=O)C(C(NC(C)(C)C)=O)S1

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 555.73 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: Sohma Y, Hayashi Y, Ito T, Matsumoto H, Kimura T, Kiso Y. Development of water-soluble prodrugs of the HIV-1 protease inhibitor KNI-727: importance of the conversion time for higher gastrointestinal absorption of prodrugs based on spontaneous chemical cleavage. J Med Chem. 2003 Sep 11;46(19):4124-35. doi: 10.1021/jm030009m. PMID: 12954064. 2: Nezami A, Luque I, Kimura T, Kiso Y, Freire E. Identification and characterization of allophenylnorstatine-based inhibitors of plasmepsin II, an antimalarial target. Biochemistry. 2002 Feb 19;41(7):2273-80. doi: 10.1021/bi0117549. PMID: 11841219. 3: Matsumoto H, Sohma Y, Kimura T, Hayashi Y, Kiso Y. Controlled drug release: new water-soluble prodrugs of an HIV protease inhibitor. Bioorg Med Chem Lett. 2001 Feb 26;11(4):605-9. doi: 10.1016/s0960-894x(01)00007-5. PMID: 11229781. 4: Matsumoto H, Kimura T, Hamawaki T, Kumagai A, Goto T, Sano K, Hayashi Y, Kiso Y. Design, synthesis, and biological evaluation of anti-HIV double-drugs. conjugates of HIV protease inhibitors with a reverse transcriptase inhibitor through spontaneously cleavable linkers. Bioorg Med Chem. 2001 Jun;9(6):1589-600. doi: 10.1016/s0968-0896(01)00045-1. PMID: 11408178. 5: Hidaka K, Kimura T, Abdel-Rahman HM, Nguyen JT, McDaniel KF, Kohlbrenner WE, Molla A, Adachi M, Tamada T, Kuroki R, Katsuki N, Tanaka Y, Matsumoto H, Wang J, Hayashi Y, Kempf DJ, Kiso Y. Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket. J Med Chem. 2009 Dec 10;52(23):7604-17. doi: 10.1021/jm9005115. PMID: 19954246. 6: Hamada Y, Matsumoto H, Yamaguchi S, Kimura T, Hayashi Y, Kiso Y. Water- soluble prodrugs of dipeptide HIV protease inhibitors based on O-->N intramolecular acyl migration: Design, synthesis and kinetic study. Bioorg Med Chem. 2004 Jan 2;12(1):159-70. doi: 10.1016/j.bmc.2003.10.026. PMID: 14697781.