NNMT inhibitor 14 , CAS No.N612345, Inhibitor of nicotinamide N-methyltransferase

Item Number

N612345

Grouped product items
SKU	Size	Availability	Price	Qty
N612345-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$572.90
N612345-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of nicotinamide N-methyltransferase

Associated Targets(Human)

NNMT Tchem Nicotinamide N-methyltransferase (0 Activities)

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

INMT Tchem Indolethylamine N-methyltransferase (111 Activities)

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

HEK293 (82097 Activities)

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

Names and Identifiers

IUPAC Name	1-{1-[(3S,5R)-5-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-indol-2-yl}-1-{2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonyl}pyrrolidin-3-yl]-3-methyl-1H-pyrazol-5-yl}methanamine
INCHI	InChI=1S/C34H34ClN7O/c1-20-4-9-30-24(10-20)14-31(40(30)18-23-5-7-27(35)8-6-23)32-15-29(42-28(16-36)12-22(3)39-42)19-41(32)34(43)26-13-25-11-21(2)38-33(25)37-17-26/h4-14,17,29,32H,15-16,18-19,36H2,1-3H3,(H,37,38)/t29-,32+/m0/s1
InChi Key	LJMIMBZGIMDSPE-BHDXBOSCSA-N
Canonical SMILES	Clc1ccc(cc1)Cn1c2ccc(C)cc2cc1[C@@H]1N(C(=O)c2cnc3c(cc(C)[nH]3)c2)C[C@@H](n2nc(C)cc2CN)C1
Isomeric SMILES	CC1=CC2=C(C=C1)N(C(=C2)[C@H]3C[C@@H](CN3C(=O)C4=CN=C5C(=C4)C=C(N5)C)N6C(=CC(=N6)C)CN)CC7=CC=C(C=C7)Cl
PubChem CID	164946746

References

1. Yoshida S, Uehara S, Kondo N, Takahashi Y, Yamamoto S, Kameda A, Kawagoe S, Inoue N, Yamada M, Yoshimura N et al.. (2022) Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.. J Med Chem, 65 (15): (10655-10673). [PMID:35904556] [10.1021/op500134e]

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Basic Description