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AD80 - ≥99%, high purity , CAS No.1384071-99-1

COA

Grade & Purity:

≥99%

Cas Number: 1384071-99-1
Molecular Weight: 473.44
PubChem CID: 71578106
PubChem SID: 504772170

In stock

Item Number

A275119

Grouped product items
SKU	Size	Availability	Price
A275119-2mg	2mg	2	$109.90
A275119-5mg	5mg	2	$227.90
A275119-10mg	10mg	2	$391.90
A275119-25mg	25mg	2	$783.90
A275119-50mg	50mg	2	$1,305.90
A275119-100mg	100mg	2	$2,285.90

A multi kinase inhibitor

View related series

MAPK/ERK Pathway (546) Non-receptor Tyrosine Kinase (643) Protein Tyrosine Kinase/RTK (1314) Raf (69) Receptor Tyrosine Kinase (1260) RET (39) Ribosomal S6 Kinase (RSK) (34) Src (93)

Basic Description

Synonyms	N-[4-[4-Amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	AD80 and AD81 inhibits RET, RAF, SRC and S6K, with greatly reduced mTOR activity relative to AD57 and AD58.AD80 is optimal for Ras–Erk pathway inhibition. AD80 is a polypharmacological agent with an optimal balance of activity against Ret, Raf, Src, Tor a
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.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	AD80, a multi kinase inhibitor, has strong activity on human RET (c-RET), BRAF, S6K and SRC, but weak activity on mTOR than ad57 or ad58. Its IC50 value for RET (c-RET) is 4 nm.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Trifluoromethylbenzenes N-phenylureas Pyrazolo[3,4-d]pyrimidines Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Primary amines Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpyrazole - Trifluoromethylbenzene - N-phenylurea - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Urea - Azacycle - Alkyl fluoride - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Alkyl halide - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
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

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	504772170
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772170
IUPAC Name	1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
INCHI	InChI=1S/C22H19F4N7O/c1-11(2)33-20-17(19(27)28-10-29-20)18(32-33)12-3-6-14(7-4-12)30-21(34)31-16-9-13(22(24,25)26)5-8-15(16)23/h3-11H,1-2H3,(H2,27,28,29)(H2,30,31,34)
InChIKey	CYORWDWRQMVGHN-UHFFFAOYSA-N
Smiles	CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)N
Isomeric SMILES	CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)N
Molecular Weight	473.44
Reaxy-Rn	27131146
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27131146&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2218102	Certificate of Analysis	Jun 05, 2023	A275119
H2218103	Certificate of Analysis	Jun 05, 2023	A275119
H2218090	Certificate of Analysis	Jun 05, 2023	A275119
H2218104	Certificate of Analysis	Jun 05, 2023	A275119
H2218093	Certificate of Analysis	Jun 05, 2023	A275119
H2218094	Certificate of Analysis	Jun 05, 2023	A275119

Chemical and Physical Properties

Solubility	Soluble in DMSO to 25 mM and in ethanol to 25 mM
Molecular Weight	473.400 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	473.159 Da
Monoisotopic Mass	473.159 Da
Topological Polar Surface Area	111.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	703.000
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

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