4μ8C - 10mM in DMSO , CAS No.14003-96-4

CAS: 14003-96-4 Cat. No.: C421493 Molecular Weight: 204.18 EC Number: 808-752-9
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
BB 0256929 | HMS3653K06 | 4?8C | F2158-2222 | 8-formyl-7-hydroxy-4-methylcoumarin | IRE1 Inhibitor III | J-007348 | SCHEMBL14398970 | DTXSID50513352 | HMS3865J03 | STK504078 | BCP21011 | NSC 622141 | 4m8C | AKOS000265727 | BDBM50013795 | AC-32642 | Pinacr
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
C421493-1ml
2

$164.90

$241.90
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Why this grade

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

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Storage & shipping

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

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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.

Specifications

Synonyms
BB 0256929 | HMS3653K06 | 4?8C | F2158-2222 | 8-formyl-7-hydroxy-4-methylcoumarin | IRE1 Inhibitor III | J-007348 | SCHEMBL14398970 | DTXSID50513352 | HMS3865J03 | STK504078 | BCP21011 | NSC 622141 | 4m8C | AKOS000265727 | BDBM50013795 | AC-32642 | Pinacr
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Blocks substrate access to the active site of IRE1α. Inhibits regulated IRE1-dependent degradation (RIDD) and unconventional spicing of Xbp1 mRNA in response to endopasmic reticulum (ER) stress but has no effect on IRE1 kinase activity.
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.
Action Type
INHIBITOR
Names and Identifiers
Canonical SmilesCC1=CC(=O)OC2=C1C=CC(=C2C=O)O
IUPAC Name7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
InChIKeyRTHHSXOVIJWFQP-UHFFFAOYSA-N
INCHI1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
Isomeric SMILES CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
WGK Germany 3
Molecular Weight 204.18
Reaxy-Rn 174380
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=174380&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
SubclassHydroxycoumarins
Intermediate Tree Nodes Not available
Direct Parent7-hydroxycoumarins
Alternative Parents 1-benzopyrans  Pyranones and derivatives  Aryl-aldehydes  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Aryl-aldehyde - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aldehyde - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (1682 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JeKo-1 (376 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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 Weight204.180 g/mol
XLogP31.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass204.042 Da
Monoisotopic Mass204.042 Da
Topological Polar Surface Area63.600 Ų
Heavy Atom Count15
Formal Charge0
Complexity321.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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