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HRO761

CAT: 0607-A9929-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A9929-25Size:25 mg
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Description
A DNA helicase inhibitor
CAS Number
2869954-34-5
Product Name Alternative
N- (2-chloro-4- (trifluoromethyl) phenyl) -2- (2- (3,6-dihydro-2H-pyran-4-yl) -5-ethyl-6- (4- (5-hydroxy-6-methylpyrimidine-4-carbonyl) piperazin-1-yl) -7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4 (7H) -yl) acetamide
Purity
0.9793
Solubility
≥25.3 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
OC1=C (C) N=CN=C1C (N2CCN (C (C (N3C (N4CC (NC5=CC=C (C (F) (F) F) C=C5Cl) =O) =NC (C6=CCOCC6) =N3) =O) =C4CC) CC2) =O
Molecular Formula
C31H31ClF3N9O5
Molecular Weight
702.09
Shipping Conditions
Blue Ice
Storage Conditions
Store at -20°C for 3 years.

Chemical Information

Hro-761

WRN Inhibitor HRO761 is an orally bioavailable selective and allosteric inhibitor of the Werner syndrome ATP-dependent helicase (WRN), with potential antineoplastic activity. Upon oral administration, WRN inhibitor HRO761 allosterically binds at the interface of the D1 and D2 helicase domains of WRN, thereby locking WRN in an inactive conformation. This induces double-stranded DNA breaks and activates the DNA damage response (DDR) to induce WRN degradation. This promotes cell cycle arrest and cell death in, and inhibits the growth of susceptible tumor cells, such as ones with high microsatellite instability (MSI-H). WRN, a multifunctional enzyme with both helicase and exonuclease activities, plays a key role in DNA replication and repair. It is overexpressed in a variety of cancer cells.

CAS Number2869954-34-5
PubChem CID166140536
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
Molecular FormulaC31H31ClF3N9O5
Molecular Weight702.1
XLogP4
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count49
Formal Charge0
Complexity1330
SMILES
CCC1=C(C(=O)N2C(=NC(=N2)C3=CCOCC3)N1CC(=O)NC4=C(C=C(C=C4)C(F)(F)F)Cl)N5CCN(CC5)C(=O)C6=NC=NC(=C6O)C
InChI
InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45)
InChIKey
XKYVECRUZPCRQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hro-761
CAS: 2869954-34-5
CID: 166140536
Formula: C31H31ClF3N9O5
MW: 702.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight702.1
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass701.2088773
Monoisotopic Mass701.2088773
Topological Polar Surface Area159 Ų
Heavy Atom Count49
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
82691-2HRO761
A24144-10HRO761 (Werner syndrome RecQ helicase-IN-1) 10mg
A24144-5HRO761 (Werner syndrome RecQ helicase-IN-1) 5mg
A24144-50HRO761 (Werner syndrome RecQ helicase-IN-1) 50mg
A24144-1HRO761 (Werner syndrome RecQ helicase-IN-1) 1mg

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