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(E)-O-(2-Acetamido-2-deoxy-D-glucopyranosylidene)amino N-Phenylcarbamate , CAS No.872611-16-0

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(E)-O-(2-Acetamido-2-deoxy-D-glucopyranosylidene)amino N-Phenylcarbamate , CAS No.872611-16-0

CAS#: 872611-16-0
Formula: C₁₅H₁₉N₃O₇
Molecular Weight: 353.33
PubChem CID: 5486943

Item Number

E352141

Grouped product items
SKU	Size	Availability	Price	Qty
E352141-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$475.90

Basic Description

Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Product Description	An inhibitor of O-GlcNAcase.

Product Properties

pKa	pKₐ: 11.85 (Predicted), pKₐ: 0.25 (Predicted)
Ki Data	NCOAT: Ki= 46 nM (human)

Associated Targets(Human)

OGA Tchem Protein O-GlcNAcase (2 Activities)

Discover Target: OGA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OGA Tchem Bifunctional protein NCOAT (460 Activities)

Discover Target: OGA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEXD Tbio Hexosaminidase D (11 Activities)

Discover Target: HEXD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

HT-22 (3261 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	[(E)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
INCHI	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14+/t10-,11-,12-,13-/m1/s1
InChi Key	PBLNJFVQMUMOJY-JIJAQUFFSA-N
Canonical SMILES	CC(=O)NC1C(C(C(OC1=NOC(=O)NC2=CC=CC=C2)CO)O)O
Isomeric SMILES	CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N/OC(=O)NC2=CC=CC=C2)CO)O)O
PubChem CID	5486943
Molecular Weight	353.33

Certificates

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Chemical and Physical Properties

Refractive Index	n20D1.64 (Predicted)
Boil Point(°C)	582.48° C (Predicted)
Melt Point(°C)	251.12° C (Predicted)

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