Dap-NE hydrochloride

CAT: 0931-T84833-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T84833-01Size:10 mg

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

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CAS Number

2019182-02-4

Target

ADC Linker, Others

Related Pathways

Antibody-drug Conjugate/ADC Related, Others

Bioactivity

Dap-NE hydrochloride, a dipeptide hydrochloride and cleavable ADC linker, facilitates the synthesis of Antibody-Drug Conjugates (ADCs) by connecting antibody molecules to cytotoxins [1].

Smiles

Cl.CO[C@H]([C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1

Molecular Formula

C18H29ClN2O3

Molecular Weight

356.89

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(2R,3R)-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-3-Methoxy-2-Methyl-3-((S)-pyrrolidin-2-yl)propanaMide (hydrochloride)

CAS Number	2019182-02-4
PubChem CID	118703559
IUPAC Name	(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide;hydrochloride
Molecular Formula	C18H29ClN2O3
Molecular Weight	356.9
Topological Polar Surface Area	70.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	371

SMILES

C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C18H28N2O3.ClH/c1-12(17(23-3)15-10-7-11-19-15)18(22)20-13(2)16(21)14-8-5-4-6-9-14;/h4-6,8-9,12-13,15-17,19,21H,7,10-11H2,1-3H3,(H,20,22);1H/t12-,13-,15+,16-,17-;/m1./s1

InChIKey

SLLIOFGFGYMWNJ-FNCCNQCASA-N

Chemical Structure

2D Structure

CAS: 2019182-02-4

CID: 118703559

Formula: C18H29ClN2O3

MW: 356.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	356.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	356.1866705
Monoisotopic Mass	356.1866705
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	371
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
T22278-01	BOC-Dap-NE
T20797-01	NE-100 hydrochloride
TP3723-01	C12-iE-DAP hydrochloride
TYD-02741-01	(R, S, R, S, R) -Boc-Dap-NE
TYD-02742-01	(R, S, S, S, R) -Boc-Dap-NE
T16289-01	NE 10790
T80268-01	IE-DAP
T68686-01	DAP-81
T11461-01	NE 52-QQ57
TP3267-01	IE-DAP dihydrochloride

Alternative Products

Catalog	Name
OR1001373-01	Dap-NE (hydrochloride)
GTR19233024-01	Dap-NE hydrochloride
HY-78932G	Dap-NE (hydrochloride) (GMP)
GTR19267087-01	(2R,3R) -Dap-NE hydrochloride
HY-78932D	(2R,3R) -Dap-NE (hydrochloride)
HY-78932C	(2S,3R) -Dap-NE (hydrochloride)
GTR19267086-01	(2S,3R) -Dap-NE hydrochloride
B7281-50	NE 100 hydrochloride
HY-101484A-01	NE-100 (hydrochloride)
MBS3602070-01	NE-100 hydrochloride

Dap-NE hydrochloride

Chemical Information

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