Pfm01

HCID 2145809

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Basic information

CAS: 1558598-41-6
Standard SMILES: CC(C)CN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S
InChIKey: GPURHDUTZUYAFI-GHXNOFRVSA-N
Molecular formula: C14H15NO2S2
Average molar mass: 293.4 g/mol
Monoisotopic mass: 293.05442107

Names & identifiers

Preferred name: Pfm01
IUPAC: (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
English name: PFM01
Molecular formula: C14H15NO2S2
Molecular weight: 293.4

Names & synonyms

PFM011558598-41-6RefChem:860482110-721-3PFM 01(Z)-5-(4-Hydroxybenzylidene)-3-isobutyl-2-thioxothiazolidin-4-one(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one(5Z)-5-[(4-Hydroxyphenyl)methylene]-3-(2-methylpropyl)-2-thioxo-4-thiazolidinoneCHEMBL6165586(5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one406710-59-6starbld0030079

Show more names

PFM01 ，S3549PFM01 >=98% (HPLC)PFM01, 10 mM in DMSO4-Thiazolidinone, 5-[(4-hydroxyphenyl)methylene]-3-(2-methylpropyl)-2-thioxo-, (5Z)-Inhibitor,derivative,MRE11,PFM-01,NHEJ,Mirin,DSB,endonuclease,N-alkylated,PFM01,PFM 01,inhibit

orb1298556PFM01?SCHEMBL212962954o24GLXC-10000IMC59841SMSF0019107BDBM50659232

Database identifiers

CAS: 1558598-41-6
PubChem CID: 2145809
ChEMBL: CHEMBL6165586
EC Number: 110-721-3
Nikkaji: J3.561.372B

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 97.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 398

Physicochemical properties

Boiling point: 435.2 · 435.2±55.0 °C(Predicted)
Density: 1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Soluble in DMSO
form: powder
pka: 8.59 · 8.59±0.30(Predicted)
color: white to beige
InChI: 1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-
InChIKey: GPURHDUTZUYAFI-GHXNOFRVSA-N
SMILES: OC1=CC=C(/C=C2SC(N(CC(C)C)C\2=O)=S)C=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 301 · P301+P312+P330-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
Precautionary statements: P301+P312+P330-P305+P351+P338

Chemistry & industry

Applications

UsesPFM01, N-alkylated Mirin derivative, is a MRE11 endonuclease inhibitor. PFM01 can regulate double-strand break repair (DSBR) by nonhomologous end-joining (NHEJ) versus homologous recombination (HR)[1][2].

Suppliers30 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

InvivoChem中国13549236410 · [email protected]

上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

韶关市启程生物科技有限公司18122215013 · [email protected]

Related reactions

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Compound notes

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