HG-10-102-01

HCID 178748537CAS 1351758-81-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl
InChIKey
YEVOZZZLKJKCCD-UHFFFAOYSA-N
Molecular formula
C17H20ClN5O3
Average molar mass
377.8 g/mol

Overview

HG-10-102-01 is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a monocarboxylic acid amide, an aromatic ether, an organochlorine compound, an aminopyrimidine, a member of morpholines and a secondary amino compound.

Names & identifiers

Preferred name
HG-10-102-01
IUPAC
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
English name
[4-[[5-Chloro-4-(MethylaMino)-2-pyriMidinyl]aMino]-3-Methoxyphenyl]-4-MorpholinylMethanone
Molecular formula
C17H20ClN5O3
Molecular weight
377.83

Names & synonyms

hg-10-102-01CHEBI:132509RefChem:1463861351758-81-0[4-[[5-Chloro-4-(methylamino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-morpholinylmethanone(4-((5-Chloro-4-(methylamino)pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanoneCHEMBL2170016[4-[[5-chloro-4-(methylamino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-morpholinyl-methanoneBDBM50396041(4-((5-chloro-4-(methylamino)-2-pyrimidinyl)amino)-3-methoxyphenyl)-4-morpholinylmethanoneMFCD28160565[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
Show more names
CS-949LRRK2 INHIBITOR 1HG-10-102-01 ，S2948HG-10-102-01, 10 mM in DMSO(4-((5-chloro-4- (methylamino)pyrimidin-2-yl)amino)- 3- methoxyphenyl)(morpholino)methano neMethanone, [4-[[5-chloro-4-(methylamino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-morpholinyl-Parkinson’s disease,Leucine-rich repeat kinase 2,inhibit,Ser910,BBB,HG 10 102 01,Radiosynthesis,Mouse embryonic fibroblast cells,Mouse Swiss 3T3 cells,MAP kinase interacting kinase,Ser935,MNK,Mitogen activated protein kinase interacting kinase,HG1010201,PET,Inhibitor,MAPK interacting kinase,HEK293 cells,LRRK2,Positron emission tomography
C17H20ClN5O3GTPL9392orb1220536orb1299989SCHEMBL7454021SCHEMBL29432560SCHEMBL29567607BDBM482160

Database identifiers

CAS
1351758-81-0
ChEMBL
CHEMBL2170016
ChEBI
CHEBI:132509

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
88.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

Physicochemical properties

Boiling point
641.1 · 641.1±65.0 °C(Predicted)
Density
1.381 · 1.381±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
2 O; · insoluble in H2O; ≥18.9 mg/mL in DMSO; ≥7.64 mg/mL in EtOH with ultrasonic
form
solid
pka
4.6 · 4.60±0.10(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

DescriptionHG-10-102-01 is an inhibitor of leucine-rich repeat kinase 2 (LRRK2; IC50 = 20.3 nM). It also inhibits the G2019S, A2016T, and [G2019S+A2016T] mutants of LRRK2 (IC50s = 3.2, 153, and 95.9 nM, respectively). HG-10-102-01 substantially inhibits Ser910 and Ser935 phosphorylation of both wild-type and G2019S mutant LRRK2 in cells. When given intraperitoneally, HG-10-102-01 penetrates the blood-brain barrier and inhibits phosphorylation of LRRK2 in the brain as well as the kidney and spleen.

Uses[4-[[5-Chloro-4-(methylamino)-2-pyrimidinyl]amino]-3-methoxyphenyl]-4-morpholinylmethanone is an aminopyrimidine derivative as LRRK2 modulators used for the treatment of Parkinson''s disease.

Upstream & downstream products

Suppliers50 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
Additional notes · 1 item

DefinitionChEBI: HG-10-102-01 is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an aminopyrimidine, a member of morpholines, a monocarboxylic acid amide, an organochlorine compound, a secondary amino compound and an aromatic ether.

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