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PHA-680632 - 98%, high purity , CAS No.398493-79-3

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
P125501
Grouped product items
SKU Size
Availability
 Price Qty
P125501-1mg
1mg
3
$23.90
P125501-5mg
5mg
3
$48.90
P125501-25mg
25mg
2
$177.90
P125501-100mg
100mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$513.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Aurora Kinase (63) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) Histone Modification (1379)

Basic Description

Synonyms A24276 | HMS3269C15 | N-(2,6-diethylphenyl)-3-(4-(4-methylpiperazin-1-yl)benzamido)pyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxamide | J-522844 | PHA-680632 | s1454 | BCP02311 | BCPP000111 | NCGC00346526-01 | SB19305 | BDBM50466806 | CS-0194 | NCGC00346526-0
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms HA-680632 (15-60 mg/kg) inhibits tumor growth in mice xenografts models of HL60, A2780, and HCT116 cells, by reducing tumor cell proliferation and increasing apoptosis. PHA-680632 (45 mg/kg) suppresses growth of activated ras-driven mammary tumors in mous
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

PHA-680632 is potent inhibitor of Aurora A, Aurora B and Aurora C with IC50 of 27 nM, 135 nM and 120 nM, respectively. It has 10- to 200-fold higher IC50 for FGFR1, FLT3, LCK, PLK1, STLK2, and VEGFR2/3.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazinanes
Subclass Piperazines
Intermediate Tree Nodes Not available
Direct Parent Phenylpiperazines
Alternative Parents N-arylpiperazines  Aminobenzoic acids and derivatives  N-phenylureas  Benzamides  Aniline and substituted anilines  Pyrrolopyrazoles  Benzoyl derivatives  Dialkylarylamines  N-methylpiperazines  Imidolactams  Heteroaromatic compounds  Pyrazoles  Pyrroles  Amino acids and derivatives  Secondary carboxylic acid amides  Trialkylamines  Ureas  Azacyclic compounds  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Phenylpiperazine - N-arylpiperazine - Aminobenzoic acid or derivatives - N-phenylurea - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Pyrrolopyrazole - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available

Associated Targets(Human)

AURKA Tchem Aurora kinase A (9 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKC Tchem Serine/threonine-protein kinase Aurora-C (1780 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LIMK1 Tchem LIM domain kinase 1 (2329 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HL-60 (67320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MOLT-4 (49676 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A2780 (11979 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LIMK2 Tchem LIM domain kinase 2 (949 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LIMK2 Tchem LIM domain kinase 1/2 (20 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma brucei brucei (13300 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trypanosoma brucei rhodesiense (7991 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504766207
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766207
IUPAC Name N-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide
INCHI InChI=1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36)
InChIKey OBWNXGOQPLDDPS-UHFFFAOYSA-N
Smiles CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C
Isomeric SMILES CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C
Molecular Weight 501.64
Reaxy-Rn 10133315
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10133315&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
K2215539 Certificate of Analysis Aug 23, 2024 P125501
K2215540 Certificate of Analysis Aug 23, 2024 P125501
K2215541 Certificate of Analysis Aug 23, 2024 P125501
K2215547 Certificate of Analysis Aug 23, 2024 P125501

Chemical and Physical Properties

Solubility DMSO 100 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
Molecular Weight 501.600 g/mol
XLogP3 3.200
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 501.285 Da
Monoisotopic Mass 501.285 Da
Topological Polar Surface Area 96.600 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 768.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Alternative Products

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    PHA-680632
    • 10mM in DMSO

    Starting at $913.90

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