Vacuolin-1 - ≥95% , CAS No.351986-85-1

CAS: 351986-85-1 Cat. No.: V336926 Molecular Weight: 577.42 EC Number: 636-870-9 PubChem CID: 9661141

GRADE & PURITY ≥95%

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 -20°C,Desiccated

Shipped In

Ice chest + Ice pads

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

≥95%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504764842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764842
• 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

• Solubility: Soluble in DMSO (1 mM).
• 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

References

1. Zijia Liu, Yunjiang Yu, Yuchen Zheng, Chao Sheng, Ao Li, Wenzhuo Li, Zijie Zhao, Yunlu Ning, Renhang Zhou, Wenzhe Hou, Zhixiang Zhou.  (2025)  Lysosomal dependent transcytosis of polystyrene nanoplastics within macrophages.  FOOD AND CHEMICAL TOXICOLOGY,      [PMID:41038372] [10.1016/j.fct.2025.115771]