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A5602

AMD3100 octahydrochloride hydrate

Name: AMD3100 octahydrochloride hydrate
Brand: SIGMA

≥97% (NMR), solid, CXCR4 antagonist

Synonym(s):

1,1′-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride, JM3100, Plerixafor, SID791

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About This Item

Empirical Formula (Hill Notation):

C₂₈H₅₄N₈ · 8HCl · xH₂O

CAS Number:

155148-31-5

Molecular Weight:

794.47 (anhydrous basis)

MDL number:

MFCD29072959

UNSPSC Code:

51111800

PubChem Substance ID:

24724394

NACRES:

NA.77

Assay:

≥97% (NMR)

Form:

solid

Quality level:

100

Storage condition:

desiccated

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Properties

Product Name

AMD3100 octahydrochloride hydrate, ≥97% (NMR), solid

Quality Level

100

assay

≥97% (NMR)

form

solid

storage condition

desiccated

solubility

H₂O: ≥10 mg/mL, clear

originator

Sanofi Aventis

storage temp.

−20°C

SMILES string

Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].Cl[H].[H]O[H].C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2

InChI

1S/C28H54N8.8ClH.H2O/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H;1H2

InChI key

GKFHDCZYJHUPEN-UHFFFAOYSA-N

Description

Application

AMD3100 is a highly specific chemokine receptor CXCR4 antagonist. AMD3100 has been used in a study to determine the blockade of CXCR4 in oral squamous cell carcinoma and inhibition of lymph node metastases.

Biochem/physiol Actions

AMD3100 is a highly specific chemokine receptor CXCR4 antagonist.

Features and Benefits

This compound was developed by Sanofi Aventis. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number

0000534207

0000479917

0000428487

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