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Phosphoglycerate Dehydrogenase (PHGDH)
CBR 5884 - 10mM in DMSO , CAS No.681159-27-3

CBR 5884 - 10mM in DMSO , CAS No.681159-27-3

CAS: 681159-27-3 Cat. No.: C425422 Molecular Weight: 336.39 EC Number: 100-774-0

COA

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CBR 5884 - 10mM in DMSO CAS No(681159-27-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY 10mM in DMSO

Synonyms

Ethyl 5-[(2-furanylcarbonyl)amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylate

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview Specifications Names and Identifiers Documentation Advanced Data 3D Structure Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application：

CBR-5884 has been used as a 3-phosphoglycerate dehydrogenase (PHGDH) inhibitor to explore the role of PHGDH in Müller cells from different retinal regions and also used in trypan blue exclusion assay to determine the number of viable MYCN cells.

Specifications

Synonyms

Ethyl 5-[(2-furanylcarbonyl)amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylate

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Phosphoglycerate dehydrogenase (PHGDH) inhibitor (IC50= 33μM). Decreasesde novoserine synthesis in cancer cells. Inhibits proliferation of cancer cell lines having high PHGDH expression levels.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

Canonical Smiles	CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)SC#N)C
IUPAC Name	ethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate
InChIKey	QBVIRPJBDIZKBC-UHFFFAOYSA-N
INCHI	1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
Isomeric SMILES	CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)SC#N)C
Molecular Weight	336.39
Reaxy-Rn	29216596
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29216596&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure

Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	336.400 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	336.024 Da
Monoisotopic Mass	336.024 Da
Topological Polar Surface Area	146.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	479.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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