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MedKoo Cat#: 564092 | Name: AD80
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

AD80 is a multikinase inhibitor. It potently targets human RET, BRAF, S6K, and SRC.

Chemical Structure

AD80
CAS#1384071-99-1

Theoretical Analysis

MedKoo Cat#: 564092

Name: AD80

CAS#: 1384071-99-1

Chemical Formula: C22H19F4N7O

Exact Mass: 473.1587

Molecular Weight: 473.44

Elemental Analysis: C, 55.81; H, 4.05; F, 16.05; N, 20.71; O, 3.38

Price and Availability

Size Price Availability Quantity
10mg USD 250.00 2 Weeks
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
Synonym
AD80; AD-80; AD 80
IUPAC/Chemical Name
1-[4-(4-Amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
InChi Key
CYORWDWRQMVGHN-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
O=C(NC1=CC(C(F)(F)F)=CC=C1F)NC2=CC=C(C3=NN(C(C)C)C4=NC=NC(N)=C43)C=C2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
AD80, a multikinase inhibitor, inhibits RET, RAF,SRCand S6K, with greatly reduced mTOR activity.
In vitro activity:
The IC50 for each compound was determined using cell viability assays in acute leukemia cellular models: Jurkat (T-ALL), Namalwa (B-ALL), NB4 (AML), and U937 (AML). Among the tested compounds, AD80 was more potent and effective (IC50 ranged 1.1 to 6.3 µM) compared to GW768505A (IC50 ranged from 16 to > 50 µM), and GSK2606414 (IC50 ranged from 36 to > 50 µM). The IC50 for the reference compound, GDP366, ranged from 5.1 to > 50 µM. GDP366 and AD80 reduced cell viability in a dose- and time-dependent manner in all the leukemia cells evaluated, with AD80 more potent and effective than GDP366 (all p < 0.05; Fig. 2a-b). Reference: Invest New Drugs. 2021 Jan 21. https://pubmed.ncbi.nlm.nih.gov/33475938/
In vivo activity:
This study investigated the efficacy of AD80 for reducing leukemia in mice that were transplanted with PTEN-deficient bone marrow cells. CD45.1+ recipient mice transplanted with PTEN-deficient leukemic cells were divided into groups for injection of AD80 or vehicle control daily for 10 days. AD80 treatment was tolerated as assessed by tracking of body weight during treatment (Figure S2c). All mice from the vehicle-control group developed leukemia, but only 50% of AD80-treated mice developed leukemia (Figure 1f). AD80-treated mice that did develop leukemia did so with delayed incidence. Reference: Cell Rep. 2017 Feb 28;18(9):2088-2095. https://pubmed.ncbi.nlm.nih.gov/28249155/
Solvent mg/mL mM comments
Solubility
DMSO 122.0 257.69
Ethanol 94.0 198.55
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 473.44 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Carlos JAEG, Lima K, Costa-Lotufo LV, Leitão A, Machado-Neto JA. AD80, a multikinase inhibitor, exhibits antineoplastic effects in acute leukemia cellular models targeting the PI3K/STMN1 axis. Invest New Drugs. 2021 Jan 21. doi: 10.1007/s10637-021-01066-w. Epub ahead of print. PMID: 33475938. 2. Wang L, Wang L, Cybula M, Drumond-Bock AL, Moxley KM, Bieniasz M. Multi-kinase targeted therapy as a promising treatment strategy for ovarian tumors expressing sfRon receptor. Genes Cancer. 2020 Jul 22;11(3-4):106-121. doi: 10.18632/genesandcancer.205. PMID: 33488949; PMCID: PMC7805538. 3. Liu H, Feng X, Ennis KN, Behrmann CA, Sarma P, Jiang TT, Kofuji S, Niu L, Stratton Y, Thomas HE, Yoon SO, Sasaki AT, Plas DR. Pharmacologic Targeting of S6K1 in PTEN-Deficient Neoplasia. Cell Rep. 2017 Feb 28;18(9):2088-2095. doi: 10.1016/j.celrep.2017.02.022. PMID: 28249155; PMCID: PMC5374978.
In vitro protocol:
1. Carlos JAEG, Lima K, Costa-Lotufo LV, Leitão A, Machado-Neto JA. AD80, a multikinase inhibitor, exhibits antineoplastic effects in acute leukemia cellular models targeting the PI3K/STMN1 axis. Invest New Drugs. 2021 Jan 21. doi: 10.1007/s10637-021-01066-w. Epub ahead of print. PMID: 33475938.
In vivo protocol:
1. Wang L, Wang L, Cybula M, Drumond-Bock AL, Moxley KM, Bieniasz M. Multi-kinase targeted therapy as a promising treatment strategy for ovarian tumors expressing sfRon receptor. Genes Cancer. 2020 Jul 22;11(3-4):106-121. doi: 10.18632/genesandcancer.205. PMID: 33488949; PMCID: PMC7805538. 2. Liu H, Feng X, Ennis KN, Behrmann CA, Sarma P, Jiang TT, Kofuji S, Niu L, Stratton Y, Thomas HE, Yoon SO, Sasaki AT, Plas DR. Pharmacologic Targeting of S6K1 in PTEN-Deficient Neoplasia. Cell Rep. 2017 Feb 28;18(9):2088-2095. doi: 10.1016/j.celrep.2017.02.022. PMID: 28249155; PMCID: PMC5374978.
1: Plenker D, Riedel M, Brägelmann J, Dammert MA, Chauhan R, Knowles PP, Lorenz C, Keul M, Bührmann M, Pagel O, Tischler V, Scheel AH, Schütte D, Song Y, Stark J, Mrugalla F, Alber Y, Richters A, Engel J, Leenders F, Heuckmann JM, Wolf J, Diebold J, Pall G, Peifer M, Aerts M, Gevaert K, Zahedi RP, Buettner R, Shokat KM, McDonald NQ, Kast SM, Gautschi O, Thomas RK, Sos ML. Drugging the catalytically inactive state of RET kinase in RET-rearranged tumors. Sci Transl Med. 2017 Jun 14;9(394). pii: eaah6144. doi: 10.1126/scitranslmed.aah6144. PubMed PMID: 28615362; PubMed Central PMCID: PMC5805089. 2: Liu H, Feng X, Ennis KN, Behrmann CA, Sarma P, Jiang TT, Kofuji S, Niu L, Stratton Y, Thomas HE, Yoon SO, Sasaki AT, Plas DR. Pharmacologic Targeting of S6K1 in PTEN-Deficient Neoplasia. Cell Rep. 2017 Feb 28;18(9):2088-2095. doi: 10.1016/j.celrep.2017.02.022. PubMed PMID: 28249155; PubMed Central PMCID: PMC5374978. 3: Dar AC, Das TK, Shokat KM, Cagan RL. Chemical genetic discovery of targets and anti-targets for cancer polypharmacology. Nature. 2012 Jun 6;486(7401):80-4. doi: 10.1038/nature11127. PubMed PMID: 22678283; PubMed Central PMCID: PMC3703503. 4: Sidman KR, Arnold DL, Steber WD, Nelsen L, Granchelli FE, Strong P, Sheth SG. Use of synthetic polypeptides in the preparation of biodegradable delivery vehicles for narcotic antagonists. Natl Inst Drug Abuse Res Monogr Ser. 1976 Jan;(4):33-8. PubMed PMID: 967233. 5: Sidman KR, Arnold DL, Steber WD, Nelsen L, Granchelli FE, Strong P, Sheth SG. Use of synthetic polypeptides in the preparation of biodegradable delivery vehicles for narcotic antagonists. Natl Inst Drug Abuse Res Monogr Ser. 1975;(4):33-8. PubMed PMID: 1234983.