Melagatran (Cas No 159776-70-2) Moligand™, ≥95% high purity and research grade

Melagatran - Moligand™, ≥95% , Inhibitor of coagulation factor II; thrombin, CAS No.159776-70-2, Inhibitor of coagulation factor II; thrombin

CAS: 159776-70-2 Cat. No.: M352749 Summenformel: C₂₂H₃₁N₅O₄ Molekulargewicht: 429.51 EG-Nummer: 849-493-1

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Melagatran - Moligand™, ≥95% CAS No(159776-70-2) by Aladdin Scientific

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GRADE & PURITY Moligand™ ? ≥95%

Synonyms

159776-70-2 (free base) | Q27084209 | ((R)-2-((S)-2-((4-carbamimidoylbenzyl)carbamoyl)azetidin-1-yl)-1-cyclohexyl-2-oxoethyl)glycine | BBL000591 | N-((R)-(((2S)-2-((p-Amidinobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine | SMR000272989 |

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Lagerung bei -20°C Ships Eistruhe + Eispads 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.

Übersicht

Melagatran ist ein Wirkstoff, der die Expression von Gewebefaktor in heterotypischen Komplexen aus menschlichen Blutplättchen und Monozyten verhindert. Studien deuten darauf hin, dass Melagatran in PRP-Gerinnungsmodellen eine fibrinolytische Aktivität hervorruft, die mit derjenigen vergleichbar ist, die in plättchenarmen Modellen beobachtet wird, die aus Gewebefaktor-induzierten Gerinnseln bestehen. Darüber hinaus wurde in diesen Studien festgestellt, dass die Fibrinolysefähigkeit von Melagatran durch das Vorhandensein von Blutplättchen nicht beeinträchtigt wird. Melagatran wirkt sich dosisabhängig auf die Thrombozytenaggregation aus, wobei niedrige Konzentrationen die größere Wirksamkeit haben. Außerdem wurde vermutet, dass Melagatran die γ-Thrombin/PAR-4-Rezeptoren gegenüber den α-Thrombin/PAR-1-Rezeptoren differenziell hemmen kann.

Specifications

Synonyme

Spezifikationen & Reinheit

Moligand™, ≥95%

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of coagulation factor II; thrombin

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln	C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O
IUPAC Name	2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid
InChIKey	DKWNMCUOEDMMIN-PKOBYXMFSA-N
INCHI	1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
Isomere SMILES	C1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O
Molekulargewicht	429.51
Reaxy-Rn	25276972
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25276972&ln=

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Klasse Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Ebene5 Peptides
        Ebene6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Klasse	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	Alpha amino acid amides Alpha amino acids Benzene and substituted derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Azetidines Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxamidines Carboxylic acids Carboximidamides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-dipeptide - Alpha-amino acid amide - Alpha-amino acid - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Amidine - Azacycle - Carboxylic acid amidine - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Carboximidamide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors	carboxamidine - dicarboxylic acid monoamide - secondary amino compound - non-proteinogenic alpha-amino acid - azetidines
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

Zugehörige Ziele (menschlich)

PLAT Tclin Tissue-type plasminogen activator (1 Activities)

Discover Target: PLAT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PLG Tclin Plasminogen (1 Activities)

Discover Target: PLG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Prothrombin (14 Activities)

Discover Target: F2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLG Tclin Plasminogen (2339 Activities)

Discover Target: PLG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRSS1 Tclin Trypsin I (2306 Activities)

Discover Target: PRSS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F10 Tclin Coagulation factor X (9693 Activities)

Discover Target: F10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F11 Tchem Coagulation factor XI (1733 Activities)

Discover Target: F11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

Discover Target: PLAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)

Discover Target: PLAU

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F7 Tchem Coagulation factor VII (948 Activities)

Discover Target: F7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PROC Tchem Vitamin K-dependent protein C (491 Activities)

Discover Target: PROC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC22A1 Tchem Solute carrier family 22 member 1 (646 Activities)

Discover Target: SLC22A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LRRC59 Tbio Leucine-rich repeat-containing protein 59 (3 Activities)

Discover Target: LRRC59

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VPS35 Tbio Vacuolar protein sorting-associated protein 35 (4 Activities)

Discover Target: VPS35

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Trypsin (394 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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	Datum	Artikel
D2630415	Certificate of Analysis	Apr 27, 2026	M352749
D2630418	Certificate of Analysis	Apr 27, 2026	M352749
D2630419	Certificate of Analysis	Apr 27, 2026	M352749
D2630420	Certificate of Analysis	Apr 27, 2026	M352749

Chemische und physikalische Eigenschaften

Löslichkeit	Solubility：DMSO
Empfindlichkeit	Light sensitive；Heat sensitive
Schmelzpunkt (°C)	172-177° C
Molekulargewicht	429.500 g/mol
XLogP3	-1.000
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	429.238 Da
Monoisotopic Mass	429.238 Da
Topological Polar Surface Area	149.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	671.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

Lösungsrechner

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Bewertungen

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Melagatran - Moligand™, ≥95% , Inhibitor of coagulation factor II; thrombin, CAS No.159776-70-2, Inhibitor of coagulation factor II; thrombin

Why this grade

Storage & shipping

Quality documents

Literature proof

Übersicht

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Kundenbewertungen

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