NL-103

CAT: 0931-T70195-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70195-01Size:25 mg

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CAS Number

1788896-33-2

Target

HDAC, Hedgehog/Smoothened, Others

Related Pathways

Others, GPCR/G Protein, Stem Cells, Chromatin/Epigenetic, DNA Damage/DNA Repair

Bioactivity

NL-103 is a novel dual-targeted inhibitor of histone deacetylases and hedgehog pathway, effectively overcomes vismodegib resistance conferred by Smo mutations. NL-103 comprises structural elements of Hh pathway inhibitor vismodegib, and histone deacetylase (HDAC) inhibitor vorinostat. NL-103 simultaneously and significantly inhibited both HDACs and Hh pathway. Importantly, NL-103 effectively overcame vismodegib resistance induced by Smoothened point mutations. Moreover, NL-103 significantly downregulated the expression of Gli2 which plays an important role in Hh pathway. NL-103 may be a promising compound for clinical development as a more effective Hh pathway inhibitor.

Smiles

N(C(=O)C1=CC(Cl)=CC=C1)C2=CC(NC(=O)C=3C=CC(NCCCCCCC(NO)=O)=NC3)=CC=C2Cl

Molecular Formula

C26H27Cl2N5O4

Molecular Weight

544.43

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 154731033

CAS Number	1788896-33-2
PubChem CID	154731033
IUPAC Name	N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[[7-(hydroxyamino)-7-oxoheptyl]amino]pyridine-3-carboxamide
Molecular Formula	C26H27Cl2N5O4
Molecular Weight	544.4
XLogP	4.5
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	37
Formal Charge	0
Complexity	746

SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CN=C(C=C3)NCCCCCCC(=O)NO)Cl

InChI

InChI=1S/C26H27Cl2N5O4/c27-19-7-5-6-17(14-19)25(35)32-22-15-20(10-11-21(22)28)31-26(36)18-9-12-23(30-16-18)29-13-4-2-1-3-8-24(34)33-37/h5-7,9-12,14-16,37H,1-4,8,13H2,(H,29,30)(H,31,36)(H,32,35)(H,33,34)

InChIKey

RJWLMMYFBDEKDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1788896-33-2

CID: 154731033

Formula: C26H27Cl2N5O4

MW: 544.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	544.4
XLogP3	4.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	543.1440097
Monoisotopic Mass	543.1440097
Topological Polar Surface Area	132 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	746
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
T8308-01	NL-1
T89348-01	HSD17B13-IN-103
T12246-01	CB-103
T36695-01	TAS-103
T70926-01	BRN-103
T22627-01	ICP 103
T9901A-957-01	EU-103
T35274	YPH 103
T205596-01	DS-103
T86357-01	EGFR-IN-103

Alternative Products

Catalog	Name
HY-12487	NL-103
ASF330-45-NL	NL
MBS3611560-01	NL-1
BN170883-01	NL 1
M22609-01	CB-103
HY-P11319	RAP-103
B1841-25	TAS-103

NL-103

Chemical Information

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