DOTAM-NHS-ester

CAT: 0931-TSH-00096-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0931-TSH-00096-02Size:250 mg

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

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CAS Number

2236057-47-7

Bioactivity

DOTAM-NHS-ester is a bifunctional chelator (Bifunctional Chelator; BFC) and a macrocyclic DOTA derivative utilized in tumor pre-targeting. It is suitable for conjugation with peptides and radionuclides.

Smiles

O=C(ON1C(CCC1=O)=O)CN2CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC2

Molecular Formula

C20H34N8O7

Molecular Weight

498.53

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

DOTAM-NHS-ester

CAS Number	2236057-47-7
PubChem CID	171364492
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Molecular Formula	C20H34N8O7
Molecular Weight	498.5
XLogP	-4
Topological Polar Surface Area	206
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	775

SMILES

C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)N)CC(=O)N)CC(=O)N

InChI

InChI=1S/C20H34N8O7/c21-15(29)11-24-3-5-25(12-16(22)30)7-9-27(10-8-26(6-4-24)13-17(23)31)14-20(34)35-28-18(32)1-2-19(28)33/h1-14H2,(H2,21,29)(H2,22,30)(H2,23,31)

InChIKey

AUWVSNBLLVYFET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2236057-47-7

CID: 171364492

Formula: C20H34N8O7

MW: 498.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.5
XLogP3	-4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Exact Mass	498.25504545
Monoisotopic Mass	498.25504545
Topological Polar Surface Area	206 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	775
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

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T85601-01	AF488 NHS ester
T205853-01	Cyanine7 NHS ester
T206136-01	Cy7 NHS ester
T204590-01	MeCY5-NHS ester
T17014-01	TCO-NHS ester
T85600-01	AF430 NHS ester

Alternative Products

Catalog	Name
HY-158072	DOTAM-NHS-ester
D447910	DOTAM
BA9855-100	DOTAM-mono-acid
2038-AAT	QXY7 NHS ester [equivalent to QSY-7 NHS ester]
2033-AAT	QXY21 NHS ester [equivalent to QSY-21 NHS ester]
A8107-25	Cy3 NHS ester
A8108-25	Cy5 NHS ester
BA2380-25	DOTA-NHS-ester
HY-135413	MeCY5-NHS ester
CRB7008004	AF647 NHS Ester

DOTAM-NHS-ester

Chemical Information

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