OSMI-1 - Moligand™,10mM in DMSO , CAS No.1681056-61-0

CAS: 1681056-61-0 Cat. No.: O422079 분자식: C₂₈H₂₅N₃O₆S₂ 분자량: 563.64

등급 & 순도 Moligand™, 10mM in DMSO

Synonyms

E78764 | HY-119738 | 1,2-dihydroquinoline-6-sulfonamido)-N-(thiophen-2- | (R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-(2-oxo-1,2-dihydroquinoline-6-sulfonamido)-N-(thiophen-2-ylmethyl)acetamide | OSMI-1, >=98% (HPLC) | DTXSID401104617 | (alphaR)-alpha-

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

OSMI-1 is a cell-permeable O-GlcNAc transferase (OGT) inhibitor with an IC50 value of 2.7 μM. OSMI-1 inhibits protein O-linked N-acetylglucosamine (O-GlcNAcylation) in several mammalian cell lines without qualitatively altering cell surface N- or O-linked glycan.

Application：

OSMI-1 (OGT with a small molecule inhibitor) has been used in proximal ligation assay, Sox2 (SRY (sex determining region Y)-Box 2 ) dual luciferase reporter assay, Sox2 ELISA (enzyme linked immunosorbent assay) and other in vivo approaches, to study the O-Linked β-N-acetylglucosamine (O-GlcNAc) mediated regulation of self-renewal genes in cancer. It has also been used to study the Hippo pathway regulation mediated by O-GlcNAc transferase.

사양

동의어

E78764 | HY-119738 | 1,2-dihydroquinoline-6-sulfonamido)-N-(thiophen-2- | (R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-(2-oxo-1,2-dihydroquinoline-6-sulfonamido)-N-(thiophen-2-ylmethyl)acetamide | OSMI-1, >=98% (HPLC) | DTXSID401104617 | (alphaR)-alpha-

사양 및 순도

Moligand™,10mM in DMSO

생화학 및 생리적 메커니즘

Potent, cell-permeable, O-GlcNAc transferase (OGT) inhibitor. Inhibits protein O-GlcNAcylation in several mammalian cell lines without qualitatively altering cell surface N- or O-linked glycans.

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

INHIBITOR

이름과 식별자

Pubchem Sid

528766483

정식 스마일

COC1=CC=CC=C1C(C(=O)N(CC2=CC=CO2)CC3=CC=CS3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)C=C5

IUPAC Name

(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

InChIKey

IYIGLWQQAMROOF-HHHXNRCGSA-N

INCHI

1S/C28H25N3O6S2/c1-36-25-9-3-2-8-23(25)27(28(33)31(17-20-6-4-14-37-20)18-21-7-5-15-38-21)30-39(34,35)22-11-12-24-19(16-22)10-13-26(32)29-24/h2-16,27,30H,17-18H2,1H3,(H,29,32)/t27-/m1/s1

이성체 SMILES

COC1=CC=CC=C1[C@H](C(=O)N(CC2=CC=CO2)CC3=CC=CS3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)C=C5

분자량

563.64

Reaxy-Rn

56504464

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56504464&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Hydroquinolones Phenylacetamides Hydroquinolines Phenoxy compounds Methoxybenzenes Anisoles Pyridinones Alkyl aryl ethers Organosulfonamides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Furans Aminosulfonyl compounds Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Dihydroquinolone - Phenylacetamide - Quinoline - Dihydroquinoline - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Pyridinone - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Lactam - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 563.600 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 563.118 Da
• Monoisotopic Mass: 563.118 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 1000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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