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1013101-36-4 (PF-04691502)

1

Identification

PF-04691502 PF-04691502
Name PF-04691502
Formula C22H27N5O4
MW 425.48
CAS No. 1013101-36-4
EINECS
Smiles OCCO[[email protected]@H]1CC[[email protected]@H](N2C(N=C(N)N=C3C)=C3C=C(C4=CC=C(OC)N=C4)C2=O)CC1
Synonyms PF 04691502; PF04691502; 2-amino-8-((1r,4r)-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
InChI InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-
2

Introduction

PF-04691502 is an ATP-competitive PI3K(α/β/δ/γ)/mTOR dual inhibitor with Ki of 1.8 nM/2.1 nM/1.6 nM/1.9 nM and 16 nM, little activity against either Vps34, AKT, PDK1, p70S6K, MEK, ERK, p38, or JNK. IC50 value: 1.8 nM/2.1 nM/1.6 nM/1.9 nM(PI3Kα/β/δ/γ); 16 nM(mTOR) Target: PI3K/mTOR PF-04691502 is an ATP-competitive PI3K/mTOR dual inhibitor with IC50 of 32 nM.

Background Information

A potent selective and orally active ATP-competitive PI3K and mTOR inhibitor ......by AOBIOUS INC
PF-04691502 is an ATP-competitive PI3K/mTOR dual inhibitor, which potently inhibited recombinant class I PI3K and mTOR in biochemical assays and suppressed transformation of avian fibroblasts mediated by wild-type PI3K γ, δ, or mutant PI3Kα. PF-04691502 inhibited mTORC1 activity in cells as measured by PI3K-independent nutrient stimulated assay, with an IC(50) of 32 nmol/L and inhibited the activation of PI3K and mTOR downstream effectors including AKT, FKHRL1, PRAS40, p70S6K, 4EBP1, and S6RP. PF-04691502 reduced phosphorylation of AKT T308 and AKT S473 (IC(50) of 7.5-47 nmol/L and 3.8-20 nmol/L, respectively) and inhibited cell proliferation (IC(50) of 179-313 nmol/L) in PIK3CA-mutant and PTEN-deleted cancer cell lines. PF-04691502 induced cell cycle G(1) arrest, concomitant with upregulation of p27 Kip1 and reduction of Rb. PF-04691502 has entered phase II clinical trials. ......by AbMole BioScience
PF-04691502 is a PI3K/mTOR kinase inhibitor, is also an agent targeting the phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) in the PI3K/mTOR signaling pathway. ......by AdooQ BioScience, LLC
Description ......by Apexbio Technology LLC
PF-04691502 is a PI3K/mTOR kinase inhibitor, is also an agent targeting the phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity. PI3K/mTOR kinase inhibito ......by BOC Sciences
A potent, ATP-competitive PI3K/mTOR dual inhibitor with broad antitumor activity. PF-04691502 potently inhibits recombinant class I PI3K and mTOR in biochemical assays and suppresses transformation of avian fibroblasts mediated by wild-type PI3K γ, δ, or mutant PI3Kα. ......by BioVision, Inc.,
PF-04691502 is a potent and selective inhibitor of PI3K and mTOR kinases with antitumor activity. PF-04691502 inhibits human and mouse PI3Kα with Ki of 1.8 and 1.2 nM, respectively, human PI3K isoforms β, δ, and γ with Ki of 2.1, 1.6, and 1.9 nM, respectively, and human mTOR with Ki of 16 nM. ......by MedChemexpress Co., Ltd.
PF-04691502 is a PI3K/mTOR kinase inhibitor , is also an agent targeting the phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity. PI3K/mTOR kinase inhibitor PF-04691502 inhibits both PI3K and mTOR kinases, which may result in apoptosis and growth inhibition of cancer cells overexpressing PI3K/mTOR. ......by MedKoo Biosciences, Inc.
PF-04691502 is an ATP-competitive PI3K(α/β/δ/γ)/mTOR dual inhibitor with Ki of 1.8 nM/2.1 nM/1.6 nM/1.9 nM and 16 nM in cell-free assays, little activity against either Vps34, AKT, PDK1, p70S6K, MEK, ERK, p38, or JNK. Phase 2. ......by Selleck Chemicals LLC
PF-04691502 is an ATP-competitive PI3K(α/β/δ/γ)/mTOR dual inhibitor with Ki of 1.8 nM/2.1 nM/1.6 nM/1.9 nM and 16 nM, little activity against either Vps34, AKT, PDK1, p70S6K, MEK, ERK, p38, or JNK. Phase 2. ......by Target Molecule Corp.
Potent and selective dual ATP-competitive PI 3-K/mTOR inhibitor (Ki values are 1.6, 1.8, 1.9, 2.1 and 16 nM for human PI 3-K δ, α, γ, β, and mTOR, respectively). Displays no significant inhibitory activity at more than 80 protein kinases (concentration ≥ 10 μM) including hVps34, PI 3-K downstream kinases, and MAPK family members. Orally available. Induces robust cell cycle arrest at the G1 phase in U87MG cancer cells and antitumor activity in SKOV3 ovarian cancer xenograft models. ......by Tocris Bioscience Inc.
3

Protocol(Only for Reference)

Cell Experiment

Cell lines BT20, U87MG, and SKOV3 cells
Conditions 0-3 mM; 3 days
Method BT20, U87MG, and SKOV3 cells are plated at 3,000 cell/well in 96-well culture plates in growth medium with 10% FBS. Cells are incubated overnight and treated with DMSO (0.1% final) or serial diluted compound for 3 days. Resazurin is added to 0.1 mg/mL. Plates are incubated at 37 °C in 5% CO2 for 3 hours. Fluorescence signals are read as emission at 590 nm after excitation at 530 nm. IC50 values are calculated by plotting fluorescence intensity to drug concentration in nonlinear curve
Source Selleck Chemicals LLC

Animal Experiment

Animal Models LSL-KrasG12D heterozygous mice (B6.129-Kras tm4Tyj) and Ptendel mice (c;129S4-Pten tm1Hwu/J), Orthotopic transplant of ovarian tumors
Dosage daily at either 7.5 or 10 mg/kg
Formulation 0.5% methylcellulose
Administration Administered via oral gavage
Source Selleck Chemicals LLC
4

Physical and Chemical Properties

Appearance:White to yellow solid EBNumber:EB000022605

Storage condition

Store at -20°C by Tocris Bioscience Inc.

Solubility

DMSO > 60 mg/mL Ethanol > 60 mg/mL by MedChemexpress Co., Ltd.
(25°C) * In vitro DMSO 14 mg/mL (32.9 mM); Water<1 mg/mL (<1 mM); Ethanol<1 mg/mL (<1 mM) by Selleck Chemicals LLC
Soluble to 100 mM in DMSO by Tocris Bioscience Inc.
5

Mechanism and Indication

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Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
PF-04691502 Pfizer Inc Metastatic breast cancer 2013/1/31 2015/4/30 Phase 2 Clinical
PF-04691502 Pfizer Inc Endometrioid carcinoma 2012/1/1 2014/5/31 Phase 2 Clinical
PF-04691502 Pfizer Inc Breast tumor 2012/3/31 2012/12/31 Phase 2 Clinical
PF-04691502 Pfizer Inc Advanced solid tumor 2011/10/31 2014/11/30 Phase 1 Clinical
PF-04691502 Pfizer Inc Advanced solid tumor 2009/12/31 2012/4/30 Phase 1 Clinical
PF-04691502 - Phase 2
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Safety Data of PF-04691502

8

Spectral Information

9

Suppliers List

Company Price and Availability Country/Region
AOBIOUS INC 1mg/USD21() USA
AbMole BioScience 10mg/USD150(In stock) USA
Active Biochem 5mg/USD80() USA
AdooQ BioScience, LLC USA
Apexbio Technology LLC USA
Ark Pharm, Inc. USA
BOC Sciences
BioVision, Inc., USA
Biochempartner Co., Ltd China
CHEMSCENE, LLC 5mg/USD96();10mg/USD144() USA
Cayman Chemical Company USA
China Jintai Biocompound Company China
KareBay Biochem 5mg/USD88() USA
MedChemexpress Co., Ltd. 5mg/USD96();10mg/USD144() USA
MedKoo Biosciences, Inc. USA
Selleck Chemicals LLC 5mg/USD110(In stock);10mg/USD170(In stock);10mM/1mLIn DMSO/USD190(In stock);10mM(in 1mL DMSO)/USD190(in 1mL DMSO);50mg/USD570(In stock);200mg/USD1570(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 5mg/USD96();10mg/USD144() China
Target Molecule Corp. 2mg/USD51();5mg/USD92();10mg/USD155();25mg/USD252();50mg/USD458() USA
Tocris Bioscience Inc. USA
10

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Other Forms of 1013101-36-4

Name CAS No Formula MW

Recommended Compounds in PI3K mTOR

Name CAS No Formula MW
MLN1117 1268454-23-4 C19H17N5O3 363.37
TGR-1202 1532533-67-7 C31H24F3N5O3 571.55
PI-3065 955977-50-1 C27H31FN6OS 506.64
Isorhamnetin 480-19-3 C16H12O7 316.26
BSF-466895 262442-90-0 C29H32Cl2FN7O2S 632.58
SAR245409 934493-76-2 C13H14N6O 270.29
HS-173 1276110-06-5 C21H18N4O4S 422.46
GDC-0032 1282512-48-4 C24H28N8O2 460.53
PF-4989216 1276553-09-3 C18H13FN6OS 380.4
CAL-130 (Hydrochloride) 1431697-78-7 C23H23ClN8O 462.93
CNX-1351 1276105-89-5 C30H35N7O3S 573.71
Quercetin 117-39-5
AS-252424 900515-16-4 C14H8FNO4S 305.28
CAY10505 1218777-13-9 C14H8FNO3S 289.28
CUDC-907 1339928-25-4 C23H24N8O4S 508.55
CAL-130 1431697-74-3 C23H22N8O 426.47
VS-5584 1246560-33-7 C17H22N8O 354.41
CH5132799 1007207-67-1 C15H19N7O3S 377.42
Duvelisib 1201438-56-3 C22H17ClN6O 416.863
XL-147 934526-89-3 C25H25ClN6O4S 541.02

Recommended Compounds in Same Indication

Name CAS No Formula MW
OSI-930 728033-96-3 C22H16F3N3O2S 443.44
AT7867 857531-00-1 C20H20ClN3 337.85
NVP-BGJ398 872511-34-7 C26H31Cl2N7O3 560.48
BMS-599626 (Hydrochloride) 873837-23-1 C27H28ClFN8O3 567.01
RO4987655 874101-00-5 C20H19F3IN3O5 565.28
MGCD-265 analog 875337-44-3 C26H20FN5O2S2 517.5977
Regorafenib (Hydrochloride) 835621-07-3 C21H16Cl2F4N4O3 519.28
Ostarine 841205-47-8 C19H14F3N3O3 389.33
AT9283 896466-04-9 C19H23N7O2 381.43
KX2-391 897016-82-9 C26H29N3O3 431.53
Toremifene 89778-26-7 C26H28ClNO 405.96
Toremifene (Citrate) 89778-27-8 C32H36ClNO8 598.08
MLN4924 905579-51-3 C21H25N5O4S 443.52
SNX-2112 908112-43-6 C23H27F3N4O3 464.48
BEZ235 915019-65-7 C30H23N5O 469.54
ABC294640 915385-81-8 C23H25ClN2O 380.91
OTSSP167 1431697-89-0 C25H28Cl2N4O2 487.42
MK-0752 471905-41-6 C21H21ClF2O4S 442.9
ZSTK474 475110-96-4 C19H21F2N7O2 417.41
Cyclophosphamide 50-18-0 C7H15Cl2N2O2P 261.09
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Route of Synthesis

12

References

13

More Information

PF-04691502

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