Vacuolin-1 - 10mM in DMSO , CAS No.351986-85-1

CAS: 351986-85-1 Cat. No.: V423569 Formula: C₂₆H₂₄IN₇O Molecular Weight: 577.42 EC Number: 636-870-9 PubChem CID: 9661141

GRADE & PURITY 10mM in DMSO

Synonyms

4-[(2E)-2-(3-iodobenzylidene)hydrazinyl]-6-(morpholin-4-yl)-N,N-diphenyl-1,3,5-triazin-2-amine | BDBM50595937 | J-019992 | 2-N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine | 4-(2-(3-Iodobenzylidene)hydr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Application

PROTAC

Overview

Vacuolin-1 is a lysosomal exocytosis inhibitor that prevents Ca|2+|-dependent fusion of lysosomes with the plasma membrane and the release of lysosomal content. Vacuolin-1 alters the morphology of lysosomes, but not their cell resealing. Vacuolin-1 is cell-permeable. Vacuolin-1 does not disturb the organization of the actin or tubulin cytoskeletal networks. Vacuolin-1 also does not interfere with trafficking along the endocytic or secretory pathways.

Specifications

Synonyms

4-[(2E)-2-(3-iodobenzylidene)hydrazinyl]-6-(morpholin-4-yl)-N,N-diphenyl-1,3,5-triazin-2-amine | BDBM50595937 | J-019992 | 2-N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine | 4-(2-(3-Iodobenzylidene)hydr

Specifications & Purity

10mM in DMSO

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

Pubchem Sid

528767681

Canonical Smiles

C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)I)N(C4=CC=CC=C4)C5=CC=CC=C5

IUPAC Name

2-N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

InChIKey

JMEJTSRAQUFNOP-TURZUDJPSA-N

INCHI

1S/C26H24IN7O/c27-21-9-7-8-20(18-21)19-28-32-24-29-25(33-14-16-35-17-15-33)31-26(30-24)34(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18-19H,14-17H2,(H,29,30,31,32)/b28-19+

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CC(=CC=C3)I)N(C4=CC=CC=C4)C5=CC=CC=C5

RTECS

WS5697000

PubChem CID

9661141

Molecular Weight

577.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Iodobenzenes Morpholines Aryl iodides 1,3,5-triazines Heteroaromatic compounds Oxacyclic compounds Hydrazones Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Morpholine - 1,3,5-triazine - Benzenoid - Oxazinane - Heteroaromatic compound - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• 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)

MCF7 (126967 Activities)

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

PC-3 (62116 Activities)

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

PIKFYVE Tchem 1-phosphatidylinositol 3-phosphate 5-kinase (270 Activities)

Discover Target: PIKFYVE

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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 719.71° C at 760 mmHg (Predicted)
• Molecular Weight: 577.400 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 577.109 Da
• Monoisotopic Mass: 577.109 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 634.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1