Hydrocotarnine - ≥98% , CAS No.550-10-7

CAS: 550-10-7 Cat. No.: H651198 Molecular Weight: 221.25 EC Number: 208-978-2 PubChem CID: 3646
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
HYDROCOTARNINE [WHO-DD] | 4-27-00-06395 (Beilstein Handbook Reference) | KBio1_001969 | KBioGR_002283 | BRN 0017283 | 1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl- | NCGC00016666-01 | NCGC00016666-03 | 1,3-DIOXOLO(4,5-g)ISOQUINOLI
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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1mg
H651198-1mg
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$38.90
5mg
H651198-5mg
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$65.90

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25mg
H651198-25mg
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100mg
H651198-100mg
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$639.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

Hydrocotarnine is a Cbl inhibitor, and results in inflammasome-mediated IL-18 secretion in colitis. Hydrocotarnine increases expression of GLUT1 and cellular glucose uptake in glycolytic metabolism. Hydrocotarnine acts as an agent that provides analgesic effect in cancer research

In Vitro

Hydrocotarnine is an analgesic agent (CRIN-2), with the patent ID of WO2011160016A2. Hydrocotarnine (10 μM; 1 h) elevates the secretion of IL-1β and IL-18, and (0.1-10 μM; 1 h) increases the global level of tyrosine-phosphorylated proteins in THP-1 cells. Hydrocotarnine (50 μM; 0-100 min) increases the glycolytic capacity and glycolytic reserve capacity in THP-1-derived macrophages. Hydrocotarnine (50 μM; 16 h) inhibits Cbl and increases the total GLUT1 protein in THP-1-derived macrophages. Hydrocotarnine is known to enhance the analgesic effect of opioids, and alleviates cancer pain. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: THP-1 cells Concentration: 0.1, 1, 10 μM Incubation Time: 1 hour Result: Induced p-Pyk2 loss and increased the level of tyrosine-phosphorylated proteins in a dose-dependent manner.

In Vivo

Hydrocotarnine (10 mg/kg/d; i.p.; 9 d) shows inhibitory effect on Cbl and results in increasing IL-18 levels, indicating that NLRP3 inflammasome activation is enhanced in mice . Hydrocotarnine (10 mg/kg/d; i.p.; 9 d) protects mice from DSS-induced colitis, with low scores of pathological evaluation of inflammation, epithelial defects, and crypt atrophy . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: DSS-induced colitis model in C57BL/6 mice (6-9 weeks old) Dosage: 10 mg/kg Administration: Intraperitoneal injection; once daily; 9 days while 2.5% DSS treatment began on day 1 and ended on day 7 Result: Significantly attenuated the weight loss of DSS-induced colitis mice compared to PBS-treated control mice, indicating that decreasing negative regulation of the NLRP3 inflammasome activation could attenuate colitis in an animal model.

Form:Solid

IC50& Target:Cbl

Specifications

Synonyms
HYDROCOTARNINE [WHO-DD] | 4-27-00-06395 (Beilstein Handbook Reference) | KBio1_001969 | KBioGR_002283 | BRN 0017283 | 1, 3-Dioxolo[4, 5-g]isoquinoline, 5, 6, 7, 8-tetrahydro-4-methoxy-6-methyl- | NCGC00016666-01 | NCGC00016666-03 | 1, 3-DIOXOLO(4, 5-g)ISOQUINOLI
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Hydrocotarnine is a Cbl inhibitor, and results in inflammasome-mediated IL-18 secretion in colitis. Hydrocotarnine increases expression of GLUT1 and cellular glucose uptake in glycolytic metabolism. Hydrocotarnine acts as an agent that provides analgesic
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
≥98%
Names and Identifiers
Canonical SmilesCN1CCC2=CC3=C(C(=C2C1)OC)OCO3
IUPAC Name4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
InChIKeyXXANNZJIZQTCBP-UHFFFAOYSA-N
INCHI1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3
Isomeric SMILES CN1CCC2=CC3=C(C(=C2C1)OC)OCO3
Alternate CAS 550-10-7
PubChem CID 3646
MeSH Entry Terms hydrocotarnine;hydrocotarnine hydrobromide;hydrocotarnine hydrochloride;hydrocotarnine hydrochloride monohydrate
Molecular Weight 221.25

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
SuperclassOrganoheterocyclic compounds
ClassTetrahydroisoquinolines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetrahydroisoquinolines
Alternative Parents Benzodioxoles  Anisoles  Aralkylamines  Alkyl aryl ethers  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Acetals  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Acetal - Oxacycle - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 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
SolubilityDMSO : ≥ 100 mg/mL (451.98 mM)
Molecular Weight221.250 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass221.105 Da
Monoisotopic Mass221.105 Da
Topological Polar Surface Area30.900 Ų
Heavy Atom Count16
Formal Charge0
Complexity261.000
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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