Noscapine Hydrochloride Hydrate - ≥98% , CAS No.912-60-7(anhydrous)

CAS: 912-60-7(anhydrous) Cat. No.: N159616 Molecular Weight: 449.88 (as Anhydrous) EC Number: 213-014-9

GRADE & PURITY ≥98%

Synonyms

(S)-6,7-dimethoxy-3-((R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one hydrochloride | AKOS024282587 | LP00840 | Noscapine (hydrochloride) | Noscapine hydrochloride | NOSCAPINE HYDROCHLORIDE ANHYDROUS [W

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(S)-6, 7-dimethoxy-3-((R)-4-methoxy-6-methyl-5, 6, 7, 8-tetrahydro-[1, 3]dioxolo[4, 5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one hydrochloride | AKOS024282587 | LP00840 | Noscapine (hydrochloride) | Noscapine hydrochloride | NOSCAPINE HYDROCHLORIDE ANHYDROUS [W

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Opioid alkaloid with several actions. Binds to tubulin, arrests cells in mitosis and induces apoptosis. Antagonist at bradykinin receptors (pA2= 6.68), inhibits carbachol-stimulated phosphoinositol turnover and enhances forskolin-stimulated cAMP increases

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.Cl
• IUPAC Name: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrochloride
• InChIKey: MFLVZFXCSKVCSH-URBRKQAFSA-N
• INCHI: 1S/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H/t17-,18+;/m1./s1
• Isomeric SMILES: CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.Cl
• RTECS: NP7225000
• Molecular Weight: 449.88 (as Anhydrous)
• Reaxy-Rn: 4345471
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4345471&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Phthalide isoquinolines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Phthalide isoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalide isoquinolines
• Alternative Parents: Tetrahydroisoquinolines Phthalides Benzofuranones Benzodioxoles Anisoles Alkyl aryl ethers Aralkylamines Trialkylamines Lactones Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalide isoquinoline - Isobenzofuranone - Benzofuranone - Phthalide - Tetrahydroisoquinoline - Benzodioxole - Isocoumaran - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Acetal - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalide isoquinolines. These are organic compounds with a structure characterized by an isoquinoline moiety linked to phthalide.
• 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

Associated Targets(Human)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:1eq. HCl, Max Conc. mg/mL: 22.49, Max Conc. mM: 50；Soluble in water, ethanol, insoluble in ether
• Sensitivity: Light Sensitive,Hygroscopic,Heat Sensitive
• Specific Rotation[α]: 45° (C=0.5,0.1 mol/L HCl)
• Melt Point(°C): 200 °C(dec.)
• Molecular Weight: 449.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 449.124 Da
• Monoisotopic Mass: 449.124 Da
• Topological Polar Surface Area: 75.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 647.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3