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ML216 - ≥99%, high purity , CAS No.1430213-30-1

    Grade & Purity:
  • ≥99%
In stock
Item Number
M302866
Grouped product items
SKU Size
Availability
Price Qty
M302866-5mg
5mg
2
$71.90
M302866-10mg
10mg
2
$102.90
M302866-25mg
25mg
2
$165.90
M302866-50mg
50mg
2
$226.90
M302866-100mg
100mg
2
$325.90
M302866-250mg
250mg
2
$733.90

Basic Description

Synonyms CHEBI:92844 | Q27164600 | A857038 | 1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[5-(4-pyridinyl)-1,3,4-thiadiaZol-2-yl]urea | WMCOYUSJXXCHFH-UHFFFAOYSA-N | AC-35514 | BCP16264 | EX-A1685 | ML216 | ML-216 | NCGC00189393-09 | MFCD24849400 | AKOS030526519 | MLS
Specifications & Purity ≥99%
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass N-phenylureas
Intermediate Tree Nodes Not available
Direct Parent N-phenylureas
Alternative Parents Trifluoromethylbenzenes  1,3,4-thiadiazol-2-ylureas  Fluorobenzenes  Pyridines and derivatives  Aryl fluorides  Heteroaromatic compounds  Ureas  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Trifluoromethylbenzene - N-phenylurea - 1,3,4-thiadiazol-2-ylurea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Thiadiazole - Urea - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors Not available

Associated Targets(Human)

Caco-2 (12174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver (3974 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504770952
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770952
IUPAC Name 1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
INCHI InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
InChIKey WMCOYUSJXXCHFH-UHFFFAOYSA-N
Smiles C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C(F)(F)F)F
Isomeric SMILES C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C(F)(F)F)F
Molecular Weight 383.32
Reaxy-Rn 23996265
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23996265&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number Certificate Type Date Item
C2304532 Certificate of Analysis Oct 27, 2022 M302866
C2507119 Certificate of Analysis Oct 27, 2022 M302866
C2304530 Certificate of Analysis Oct 27, 2022 M302866
C2304540 Certificate of Analysis Oct 27, 2022 M302866
C2304535 Certificate of Analysis Oct 27, 2022 M302866
C2304531 Certificate of Analysis Oct 27, 2022 M302866
C2304534 Certificate of Analysis Oct 27, 2022 M302866

Chemical and Physical Properties

Molecular Weight 383.300 g/mol
XLogP3 2.800
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 3
Exact Mass 383.046 Da
Monoisotopic Mass 383.046 Da
Topological Polar Surface Area 108.000 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 491.000
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

Citations of This Product

1. Yan Wu, Jun Zhang, Xintian Wang, Yuncong Xu, Jinxu Zheng.  (2023)  Saikosaponin-d regulates angiogenesis in idiopathic pulmonary fibrosis through angiopoietin/Tie-2 pathway.  ACTA HISTOCHEMICA,  125  (152100). 

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