PF-06260933
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MedKoo CAT#: 527680

CAS#: 1811510-56-1 (free base)

Description: PF-06260933 is a potent and highly selective inhibitor of MAP4K4.


Chemical Structure

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PF-06260933
CAS# 1811510-56-1 (free base)

Theoretical Analysis

MedKoo Cat#: 527680
Name: PF-06260933
CAS#: 1811510-56-1 (free base)
Chemical Formula: C16H13ClN4
Exact Mass: 296.08
Molecular Weight: 296.758
Elemental Analysis: C, 64.76; H, 4.42; Cl, 11.95; N, 18.88

Price and Availability

Size Price Availability Quantity
100mg USD 550 2 Weeks
200mg USD 950 2 Weeks
500mg USD 1950 2 Weeks
1g USD 2950 2 Weeks
2g USD 5250 2 Weeks
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Related CAS #: 1883548-86-4 (2HCl)   1811510-56-1 (free base)   2118243-34-6 (HCl),  

Synonym: PF06260933; PF 06260933; PF-06260933; PF6260933; PF 6260933; PF-6260933;

IUPAC/Chemical Name: 5-(4-Chlorophenyl)-[3,3']bipyridinyl-6,6'-diamine

InChi Key: KHPCIHZXOGHCLY-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)

SMILES Code: NC1=C(C2=CC=C(Cl)C=C2)C=C(C3=CC=C(N)N=C3)C=N1

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: >2 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: 2934.99.9001

More Info:

Product Data:
Biological target: PF-06260933 is an orally active and highly selective inhibitor of MAP4K4 with IC50s of 3.7 and 160 nM for kinase and cell.
In vitro activity: To optimize the hydrogen bond with Asp115, compound 16 (PF-06260933) was prepared, as modeling indicated that the NH2 group of the newly introduced aminopyridine group interacts with Asp115 in a similar fashion as the phenol OH in 13. Compound 16 (PF-6260933) was very potent against the enzyme with a very good ligand efficiency (LE = 0.57) and was the most potent analogue in the cell assay. Indeed, compound 16 showed a kinase activity IC50 (tested at Km) of 15 and 8 nM for TNIK and MINK, respectively. Reference: ACS Med Chem Lett. 2015 Oct 6;6(11):1128-33. https://pubmed.ncbi.nlm.nih.gov/26617966/
In vivo activity: The model mice were assigned to four groups: MAP4K4 recombinant protein, scramble small interfering RNA, and MAP4K4 small interfering RNA were delivered by intracerebroventricular injection, while PF-06260933, a small-molecule inhibitor of MAP4K4, was administrated orally. Furthermore, administration of the MAP4K4 inhibitor PF-06260933 reduced blood-brain barrier damage in mice, promoted the recovery of neurological function, and reduced p-p65 and MMP9 protein expression. Reference: Neural Regen Res. 2021 Feb;16(2):325-332. https://pubmed.ncbi.nlm.nih.gov/32859792/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 1.0 3.37
DMSO 30.0 101.09
Ethanol 2.0 6.74

Preparing Stock Solutions

The following data is based on the product molecular weight 296.76 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. Zou Z, Dong YS, Liu DD, Li G, Hao GZ, Gao X, Pan PY, Liang GB. MAP4K4 induces early blood-brain barrier damage in a murine subarachnoid hemorrhage model. Neural Regen Res. 2021 Feb;16(2):325-332. doi: 10.4103/1673-5374.290904. PMID: 32859792; PMCID: PMC7896238. 2. Ammirati M, Bagley SW, Bhattacharya SK, Buckbinder L, Carlo AA, Conrad R, Cortes C, Dow RL, Dowling MS, El-Kattan A, Ford K, Guimarães CR, Hepworth D, Jiao W, LaPerle J, Liu S, Londregan A, Loria PM, Mathiowetz AM, Munchhof M, Orr ST, Petersen DN, Price DA, Skoura A, Smith AC, Wang J. Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. ACS Med Chem Lett. 2015 Oct 6;6(11):1128-33. doi: 10.1021/acsmedchemlett.5b00215. PMID: 26617966; PMCID: PMC4645242.
In vitro protocol: 1. Ammirati M, Bagley SW, Bhattacharya SK, Buckbinder L, Carlo AA, Conrad R, Cortes C, Dow RL, Dowling MS, El-Kattan A, Ford K, Guimarães CR, Hepworth D, Jiao W, LaPerle J, Liu S, Londregan A, Loria PM, Mathiowetz AM, Munchhof M, Orr ST, Petersen DN, Price DA, Skoura A, Smith AC, Wang J. Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. ACS Med Chem Lett. 2015 Oct 6;6(11):1128-33. doi: 10.1021/acsmedchemlett.5b00215. PMID: 26617966; PMCID: PMC4645242.
In vivo protocol: 1. Zou Z, Dong YS, Liu DD, Li G, Hao GZ, Gao X, Pan PY, Liang GB. MAP4K4 induces early blood-brain barrier damage in a murine subarachnoid hemorrhage model. Neural Regen Res. 2021 Feb;16(2):325-332. doi: 10.4103/1673-5374.290904. PMID: 32859792; PMCID: PMC7896238. 2. Ammirati M, Bagley SW, Bhattacharya SK, Buckbinder L, Carlo AA, Conrad R, Cortes C, Dow RL, Dowling MS, El-Kattan A, Ford K, Guimarães CR, Hepworth D, Jiao W, LaPerle J, Liu S, Londregan A, Loria PM, Mathiowetz AM, Munchhof M, Orr ST, Petersen DN, Price DA, Skoura A, Smith AC, Wang J. Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. ACS Med Chem Lett. 2015 Oct 6;6(11):1128-33. doi: 10.1021/acsmedchemlett.5b00215. PMID: 26617966; PMCID: PMC4645242.

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1: Roth Flach RJ, Skoura A, Matevossian A, Danai LV, Zheng W, Cortes C, Bhattacharya SK, Aouadi M, Hagan N, Yawe JC, Vangala P, Menendez LG, Cooper MP, Fitzgibbons TP, Buckbinder L, Czech MP. Endothelial protein kinase MAP4K4 promotes vascular inflammation and atherosclerosis. Nat Commun. 2015 Dec 21;6:8995. doi: 10.1038/ncomms9995. PubMed PMID: 26688060; PubMed Central PMCID: PMC4703891.

2: Ammirati M, Bagley SW, Bhattacharya SK, Buckbinder L, Carlo AA, Conrad R, Cortes C, Dow RL, Dowling MS, El-Kattan A, Ford K, Guimarães CR, Hepworth D, Jiao W, LaPerle J, Liu S, Londregan A, Loria PM, Mathiowetz AM, Munchhof M, Orr ST, Petersen DN, Price DA, Skoura A, Smith AC, Wang J. Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. ACS Med Chem Lett. 2015 Oct 6;6(11):1128-33. doi: 10.1021/acsmedchemlett.5b00215. eCollection 2015 Nov 12. PubMed PMID: 26617966; PubMed Central PMCID: PMC4645242.