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Aldumastat , ADAMTS5 inhibitor, CAS No.1957278-93-1, ADAMTS5 inhibitor

CAS: 1957278-93-1 Cat. No.: A671321 Molecular Weight: 406.4 EC Number: 872-680-4 PubChem CID: 121448788
COA
Aldumastat - CAS No(1957278-93-1) by Aladdin Scientific
AVAILABLE TO ORDER
Synonyms
Aldumastat | GTPL12778 | (S)-5-cyclopropyl-5-(3-((S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl)-3-oxopropyl)imidazolidine-2,4-dione | S201086 | (5S)-5-Cyclopropyl-5-(3-[(3s)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl)imidazolidine-2,4-
Storage
Room temperature
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Size
Status
Price
Qty
1mg
A671321-1mg
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$999.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Aldumastat | GTPL12778 | (S)-5-cyclopropyl-5-(3-((S)-4-(3, 5-difluorophenyl)-3-methylpiperazin-1-yl)-3-oxopropyl)imidazolidine-2, 4-dione | S201086 | (5S)-5-Cyclopropyl-5-(3-[(3s)-4-(3, 5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl)imidazolidine-2, 4-
Storage
Room temperature
Action Type
INHIBITOR
Mechanism of action
ADAMTS5 inhibitor
Product Properties
ALogP1.6
Names and Identifiers
Canonical SmilesCC1CN(CCN1C2=CC(=CC(=C2)F)F)C(=O)CCC3(C(=O)NC(=O)N3)C4CC4
IUPAC Name(5S)-5-cyclopropyl-5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
InChIKeyCMLVKUWQFZQPPS-YUNKPMOVSA-N
INCHI1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1
Isomeric SMILES C[C@H]1CN(CCN1C2=CC(=CC(=C2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4
PubChem CID 121448788
Molecular Weight 406.4

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents N-arylpiperazines  Alpha amino acids and derivatives  Dialkylarylamines  Aniline and substituted anilines  5-monosubstituted hydantoins  N-acyl ureas  Fluorobenzenes  Aryl fluorides  Tertiary carboxylic acid amides  Dicarboximides  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-arylpiperazine - Phenylpiperazine - Hydantoin - Alpha-amino acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - 5-monosubstituted hydantoin - Tertiary aliphatic/aromatic amine - Ureide - N-acyl urea - Halobenzene - Fluorobenzene - Benzenoid - Imidazolidinone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Imidazolidine - Dicarboximide - Urea - Tertiary amine - Carbonic acid derivative - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ADAMTS4 Tchem A disintegrin and metalloproteinase with thrombospondin motifs 4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADAMTS5 Tchem A disintegrin and metalloproteinase with thrombospondin motifs 5 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP14 Tchem Matrix metalloproteinase 14 (1592 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCA Tchem Protein kinase C alpha (5923 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LYN Tclin Tyrosine-protein kinase Lyn (4251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAMK2A Tchem CaM kinase II alpha (1938 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADAMTS4 Tchem ADAMTS4 (425 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADAMTS5 Tchem ADAMTS5 (711 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NTRK2 Tclin Neurotrophic tyrosine kinase receptor type 2 (3279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADAMTS1 Tchem ADAMTS1 (32 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAF1 Tclin Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) (160 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADAMTS13 Tbio A disintegrin and metalloproteinase with thrombospondin motifs 13 (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Adam17 ADAM17 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp2 Matrix metalloproteinase-2 (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight406.400 g/mol
XLogP31.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass406.182 Da
Monoisotopic Mass406.182 Da
Topological Polar Surface Area81.800 Ų
Heavy Atom Count29
Formal Charge0
Complexity679.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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