IDO-IN-5 - ≥95% , CAS No.1402837-79-9

CAS: 1402837-79-9 Cat. No.: I649978 Molecular Weight: 316.37

GRADE & PURITY ≥95%

Synonyms

SCHEMBL13469836 | DTXSID701129668 | SCHEMBL13469904 | BDBM370556 | IDO-IN-5 | HY-18770 | (1S,4s)-4-((R)-2-((R)-6-fluoro-5H-imidazo[5,1- a]isoindol-5-yl)-1-hydroxyethyl)cyclohexanol | SCHEMBL21187425 | MS-24665 | US10233190, Example 1483 | 4-[(1R)-2-[(5R)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

IDO-IN-5 (NLG-1489) is an indoleamine 2,3-dioxygenase ( IDO ) inhibitor extracted from patent WO WO2012142237A1, compound 1489, has an IC 50 of 1-10 μM.

In Vitro

IDO-IN-5 (Compound 1487) is an indoleamine 2,3-dioxygenase (IDO) inhibitor with an IC 50 of 1-10 μM (this is the concentration of IDO-IN-5 at which inhibits 50% of enzymatic activity using recombinant human IDO). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IDO 1-10 μM (IC 50 )

Specifications

Synonyms

SCHEMBL13469836 | DTXSID701129668 | SCHEMBL13469904 | BDBM370556 | IDO-IN-5 | HY-18770 | (1S, 4s)-4-((R)-2-((R)-6-fluoro-5H-imidazo[5, 1- a]isoindol-5-yl)-1-hydroxyethyl)cyclohexanol | SCHEMBL21187425 | MS-24665 | US10233190, Example 1483 | 4-[(1R)-2-[(5R)-

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

IDO-IN-5 (NLG-1489) is an indoleamine 2, 3-dioxygenase ( IDO ) inhibitor extracted from patent WO WO2012142237A1, compound 1489, has an IC 50 of 1-10 μM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(CCC1C(CC2C3=C(C=CC=C3F)C4=CN=CN24)O)O
• IUPAC Name: 4-[(1R)-2-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
• InChIKey: YGACXVRLDHEXKY-LRBMDJJVSA-N
• INCHI: 1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17-/m1/s1
• Isomeric SMILES: C1CC(CCC1[C@@H](C[C@@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O
• Alternate CAS: 1402837-79-9
• Molecular Weight: 316.37
• Reaxy-Rn: 34838077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34838077&ln=

Chemical and Physical Properties

• Molecular Weight: 316.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 316.159 Da
• Monoisotopic Mass: 316.159 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 416.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1