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PD 0325901

PD 0325901 structure

CAS No:
391210-10-9
Formula:
C16H14F3IN2O4
Chemical Name:
PD 0325901
Synonyms:
PD 0325901;(R)-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzamide;PD-0235901;N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)aMino]be;PD325901;N-[(R)-2,3 -Dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylaMino)-benzaMide;N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide PD0325901;PD 0325901 N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
Categories:
Biochemical Engineering > Inhibitors

Description

PD0325901 is a selective and cell permeable MEK inhibitor with an IC50 of 0.33 nM.

PD 0325901 is a hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). It has a role as an EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor and an antineoplastic agent. It is a hydroxamic acid ester, a secondary amino compound, a member of monofluorobenzenes, an organoiodine compound, a member of propane-1,2-diols and a difluorobenzene.|PD-0325901 has been used in trials studying the treatment and basic science of Melanoma, Solid Tumour, Solid Tumors, Advanced Cancer, and Breast Neoplasms, among others.|Mirdametinib is an orally bioavailable, synthetic organic molecule targeting mitogen-activated protein kinase kinase (MAPK/ERK kinase or MEK) with potential antineoplastic activity. Upon administration, mirdametinib selectively binds to and inhibits MEK, which may result in the inhibition of the phosphorylation and activation of MAPK/ERK and the inhibition of tumor cell proliferation. The dual specific threonine/tyrosine kinase MEK is a key component of the RAS/RAF/MEK/ERK signaling pathway that is frequently activated in human tumors.

PD 325901 (391210-10-9) is a selective non-ATP competitive MEK inhibitor (IC50 = 0.33 nM).1 Inhibits growth and/or proliferation of a variety of cancer cells.2 Enhances self-renewal of embryonic stem cells.3 In combination with vitamin C, synergistically induces hypomethylation of mouse embryonic stem cells.4 In combination with CHIR-99021 and A83-01 induces generation of ground state iPS cells from human and rat somatic cells.5

White to Off-White Solid

ChEBI: A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).

PD 0325901 Basic Attributes

Molecular Weight：

482.19

Exact Mass：

482.19

EC Number：

687-152-7

UNII：

86K0J5AK6M

DSSTox ID：

DTXSID0044024

NCI Thesaurus Code：

C52195

Color/Form：

white to off-white

HScode：

29242990

Characteristics

PSA：

90.82000

XLogP3：

2.93060

Appearance：

white to off-white

Density：

1.817±0.06 g/cm3(Predicted)

Melting Point：

112-114°C

Refractive Index：

1.645

Water Solubility：

DMSO: soluble20mg/mL, clear

Storage Conditions：

Store at -20°C

PKA：

13.45±0.20(Predicted)

Critical Temperature & Pressure：

2-8°C

Safety Information

Packing level：

Ⅲ

Hazard category：

IRRITANT

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

T,N

safety instructions：

22-36/37/39-61

Marks：

T,N

Storage features：

-20°C

Precautionary statement(s)：

P273-P301 + P310 + P330-P391-P501

Hazard Statements：

25-48-50

RIDADR：

UN 2811 6.1 / PGIII

GHS Classification：

|Danger|H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P273, P301+P310, P314, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

PD 0325901

PD 0325901 Use and Manufacturing

The mitogenic extracellular kinase 1/2 (MEK1/2) inhibitor

PD 0325901 has been used as an inhibitor in extracellular signal-regulated kinase (ERK) inhibition assay in primed induced pluripotent stem cells, RKO colorectal cancer cell line and human embryonic stem cells(hESCs).

Computed Properties

Molecular Weight:482.19
XLogP3:3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:481.99504
Monoisotopic Mass:481.99504
Topological Polar Surface Area:90.8
Heavy Atom Count:26
Complexity:465
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PD 0325901

CAS No.: 391210-10-9

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PD 0325901

CAS No.: 391210-10-9

Grade: Pharmaceutical Grade

Content: 98%

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