BML 284 - 10mM in DMSO , CAS No.853220-52-7

CAS: 853220-52-7 Cat. No.: B426314 Molecular Weight: 350.4

GRADE & PURITY 10mM in DMSO

Synonyms

BML-284|853220-52-7|Wnt Agonist|N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine|N4-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine|2-Amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxyphenyl)pyrimidi

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Application

CID 11210285 has been used as a Wnt agonist

Specifications

Synonyms

BML-284 | 853220-52-7 | Wnt Agonist | N4-(1, 3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2, 4-diamine | N4-(Benzo[d][1, 3]dioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2, 4-diamine | 2-Amino-4-(3, 4-(methylenedioxy)benzylamino)-6-(3-methoxyphenyl)pyrimidi

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Cell-permeable Wnt signaling activator. Induces β-catenin and TCF-dependent transcriptional activity (EC 50 = 0.7 μM). Activates Wnt without inhibiting GSK-3β.Shows developmental effects in vivo. CID 11210285 is a cell-permeable, potent and selective acti

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

ACTIVATOR

Names and Identifiers

• Canonical Smiles: COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4
• IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
• InChIKey: FABQUVYDAXWUQP-UHFFFAOYSA-N
• INCHI: 1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23)
• Isomeric SMILES: COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4
• Molecular Weight: 350.4
• Reaxy-Rn: 10375040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10375040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - 5-phenylpyrimidine - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Acetal - Oxacycle - Ether - Azacycle - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

TUBA3C Tchem Tubulin alpha (84 Activities)

Discover Target: TUBA3C

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

TUBB4B Tclin Tubulin beta (167 Activities)

Discover Target: TUBB4B

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

TUBB2B Tubulin (2175 Activities)

Discover Target: TUBB2B

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 350.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 350.138 Da
• Monoisotopic Mass: 350.138 Da
• Topological Polar Surface Area: 91.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 455.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1

References

1. Wenqi Diao, Jin Yan, Xuedong Wang, Qiuhui Qian, Huili Wang.  (2022)  Mechanisms regarding cardiac toxicity triggered by up-regulation of miR-144 in larval zebrafish upon exposure to triclosan.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36368065] [10.1016/j.jhazmat.2022.130297]