Plerixafor 8HCl (AMD3100 8HCl) - ≥99% , CAS No.155148-31-5

CAS: 155148-31-5 Cat. No.: P129846 Peso molecular: 794.47 Número EC: 828-184-5 PubChem CID: 65014

GRADE & PURITY ≥99%

Synonyms

155148-31-5 (HCl) | Plerixafor hydrochloride | AMD3100 octahydrochloride hydrate | DTXSID20935148 | 1,1'-[1,4-Phenylenebis-(methylene)]-bis-(1,4,8,11-tetraazacyclotetradecane) octahydrochloride | Sid 791 | PLERIXAFOR OCTAHYDROCHLORIDE [WHO-DD] | AMD 3100

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Plerixafor 8HCl (AMD3100 8HCl) is the hydrochloride of Plerixafor, a chemokine receptor antagonist for CXCR4 and CXCL12-mediated chemotaxis with IC50 of 44 nM and 5.7 nM, respectively.
A specific CXCR4 antagonist.

Specifications

Sinónimos

155148-31-5 (HCl) | Plerixafor hydrochloride | AMD3100 octahydrochloride hydrate | DTXSID20935148 | 1, 1'-[1, 4-Phenylenebis-(methylene)]-bis-(1, 4, 8, 11-tetraazacyclotetradecane) octahydrochloride | Sid 791 | PLERIXAFOR OCTAHYDROCHLORIDE [WHO-DD] | AMD 3100

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

AMD3100 octahydrochloride is a selective bicyclam derivative which functions as a stem cell mobiliser via blocking the CXCR4 chemokine receptor. Studies suggest that AMD3100 octahydrochloride causes the rapid movement of stem cells out of bone marrow via

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
• IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride
• InChIKey: UEUPDYPUTTUXLJ-UHFFFAOYSA-N
• INCHI: 1S/C28H54N8.8ClH/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
• Isómeros SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
• PubChem CID: 65014
• Peso molecular: 794.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CXCR4 Tclin C-X-C chemokine receptor type 4 (3338 Activities)

Discover Target: CXCR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCR3 Tchem C-C chemokine receptor type 3 (1666 Activities)

Discover Target: CCR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)

Discover Target: CCR5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MT4 (17854 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility H2O: ≥10 mg/mL, clear；DMSO：Insoluble；Ethanol：Insoluble
• Sensibilidad: heat sensitive
• Punto de fusión (°C): 245 °C
• Peso molecular: 794.500 g/mol
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 794.255 Da
• Monoisotopic Mass: 790.261 Da
• Topological Polar Surface Area: 78.700 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 456.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 9

XLogP3

Referencias

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4. Wang Cong-Ying, Shi Ying-Ge, Lin Yu-Chen, Tang Zhi-Yong, Lu Si-Yu.  (2025)  Metformin/dopamine derived bioactive carbon dots accelerate bacteria-infected wound healing.  RARE METALS,      [PMID:] [10.1007/s12598-025-03482-w]

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6. Yaping Chen, Qiuqi Wen, Bing Yang, Liang Feng, Xiaobin Jia.  (2025)  Active Constituent of HQS in T2DM Intervention: Efficacy and Mechanistic Insights.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (10): (4578).  [PMID:40429723] [10.3390/ijms26104578]

7. Jun Qin, Xiaoshan Zheng, Dongshu Wang, Chunyu Song, Wenzheng Shi, Ying Lu.  (2025)  Degradation polysaccharide of Euryale ferox Salisb. Seeds significantly enhanced the hypoglycemic efficiency of type 2 diabetes mellitus.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40517864] [10.1016/j.ijbiomac.2025.145238]

8. Ganghua Yang, Jianqiu Yang, Zhaoping Diao, Jiajun Long, Zhiwen Shu, Chengkang Liu, Wenbing Wan.  (2025)  Cascade-targeting pH/ROS microneedles promote scarless diabetic wound healing by macrophage metaboimmune reprogramming.  Science Advances,  11  (44):   [PMID:41171927] [10.1126/sciadv.adw3834]

9. Zhi-you Hao, Xiao-lan Wang, Meng Yang, Shi-qi Zhou, Chao-yuan Xiao, Jun-yang Zhang, Shuang-shuang Xie, Meng Li, Yan-gang Cao, Yan-jun Sun, Xiao-ke Zheng, Wei-sheng Feng.  (2025)  In vitro anti-diabetic activities of phytochemicals isolated from Cornus officinalis fruits.  FITOTERAPIA,      [PMID:41224028] [10.1016/j.fitote.2025.106984]

10. Luxin Zhang, Xiaobing Liu, Sishang Ge, Weiwei Shi, Rui Zhang, Chaoyang Li, Rong Chen.  (2025)  Remediation of ternary heavy metal-polyethylene microplastics co-contaminated soil using co-modified biochar with deep eutectic solvent and warm patch: competitive interactions, mechanistic insights, and microbial community response.  ENVIRONMENTAL RESEARCH,      [PMID:41232900] [10.1016/j.envres.2025.123318]