H3B-120

CAT: 0804-HY-136128-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0804-HY-136128-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

H3B-120 is a highly selective, competitive and allosteric carbamoyl phosphate synthetase 1 (CPS1) inhibitor with an IC50 of 1.5 μM and a Ki of 1.4 μM. H3B-120 has anti-cancer activity[1].

CAS Number

2194903-42-7

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Carbamoyl Phosphate Synthetase (CPS) ; Potassium Channel

Type

Reference compound

Related Pathways

Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/h3b-120.html

Purity

98.36

Solubility

DMSO : 62.5 mg/mL (ultrasonic)

Smiles

O=C(N1CCC(C(NC2=NC(C)=CS2)=O)CC1)N(C)CC3=CC=CC=C3

Molecular Formula

C19H24N4O2S

Molecular Weight

372.48

Precautions

H302, H315, H319, H335

References & Citations

[1]Yao S, et al. Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket. Cell Chem Biol. 2020 Mar 19;27 (3) :259-268.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

CPS I

Chemical Information

H3B-120

carbamoyl phosphate synthetase 1 inhibitor

CAS Number	2194903-42-7
PubChem CID	132355378
IUPAC Name	1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
Molecular Formula	C19H24N4O2S
Molecular Weight	372.5
XLogP	2.3
Topological Polar Surface Area	93.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	490

SMILES

CC1=CSC(=N1)NC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)

InChIKey

ZEVOZXRSCSSPAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2194903-42-7

CID: 132355378

Formula: C19H24N4O2S

MW: 372.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	372.5
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	372.16199719
Monoisotopic Mass	372.16199719
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-112596-01	H3B-6545
HY-149887-01	H3B-968
HY-112611-01	H3B-5942
HY-111517-01	H3B-8800
HY-100491-01	H3B-6527
HY-100491R	H3B-6527 (Standard)
HY-112596A-01	H3B-6545 (hydrochloride)
HY-P990635-01	NGM-120
HY-161923	EGFR-IN-120
HY-W041315-01	CFL-120

Alternative Products

Catalog	Name
A9018-10	H3B-120
BA9221-1	H3B-5942
BA3996-5	H3B-968
BA9223-5.1	H3B-6545
407449	H3B-6527
T202811-01	H3B-616
S9716-1mg	H3B-8800

H3B-120

Chemical Information

Related Products

Alternative Products

Popular Products