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JM 3100

HCID 65014
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
155148-31-5
Standard SMILES
Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
InChIKey
UEUPDYPUTTUXLJ-UHFFFAOYSA-N
Molecular formula
C28H62Cl8N8
Average molar mass
794.5 g/mol
Monoisotopic mass
790.260566

Overview

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Names & identifiers

Preferred name
JM 3100
IUPAC
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride
English name
Plerixafor 8HCl (AMD3100 8HCl)
Molecular formula
C28H54N8
Molecular weight
502.78

Names & synonyms

JM 3100JM-3100RefChem:923948155148-31-5Plerixafor OctahydrochlorideSid 791AMD 3100 octahydrochloridePlerixafor 8HCl (AMD3100 8HCl)1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene octahydrochloridePlerixafor hydrochloridePlerixafor 8HClMFCD04974488
Show more names
AMD3100SID791JM3100CS-907BISCYCLAMAMD3100 HClSID791 8HClJM 3100 8HCl
SDZ-SID-791AMD3100 octahydrochloride hydrateBicyclam155148-31-5 (HCl)Plerixafor Hydrochloride (1:8)Plerixafor hclDTXSID20935148Plerixafor (octahydrochloride)

Database identifiers

CAS
155148-31-5
PubChem CID
65014
DTXSID
DTXSID20935148
ChEMBL
CHEMBL2311028

Properties

Computed structural properties

Topological polar surface area
78.7 Ų
Hydrogen bond donors
14
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
44
Formal charge
0
Complexity
456

Physicochemical properties

Melting point
188 · 188 - 193°C (dec.)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
solubility
2 O: · H2O: ≥10 mg/mL, clear
form
solid
color
White
Water Solubility
Soluble in water (100mM)
Stability
1 year · Stable for 1 year from date of purchase as supplied. Solutions in distilled water may be stored at -20°C for up to 2 months.
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
InChIKey
UEUPDYPUTTUXLJ-UHFFFAOYSA-N
SMILES
N1(CCNCCCNCCNCCC1)CC1C=CC(=CC=1)CN1CCNCCCNCCNCCC1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl
EWG's Food Scores
1 · 1
NCI Dictionary of Cancer Terms
3100 · AMD 3100
FDA UNII
49913540 · OD49913540
UNSPSC Code
51111800 · 51111800

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
3
Signal word
Danger
Symbol(GHS)
GHS05,GHS02
safety_code
22-24/25
Storage Class
11 - Combustible Solids
Hazard statements
H314-H226
Precautionary statements
P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Applications · 5 items

DescriptionPlerixafor (155148-31-5) is a highly selective CXCR4 antagonist (IC50 = 20-130 nM).1,2 Originally investigated as an HIV replication inhibitor.3 Plerixafor has been investigated for the treatment autoimmune diseases and various cancers.4 Clinically useful for the mobilization of hematopoietic stem cells in the treatment of blood cancers.

UsesPlerixafor 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 - See more at: http://www.selleckchem.com/products/plerixafor-8hcl-db06

UsesA specific CXCR4 antagonist.

UsesPlerixafor Hydrochloride (1:8), is an immunostimulant used to mobilize hematopoietic stem cells in cancer patients. It is a hematopoietic stem cell (HSC) mobilizer that inhibits the CXCR4 chemokine receptor and blocks binding of its ligand, stromal cell-derived factor-1-α (SDF-1-α).

General DescriptionA symmetrical bicyclam compound that antagonizes CXCL12 (SDF1) binding to CXCR4 (IC50 = 108 and 245 nM using rat and human CXCR4, respectively) and inhibits SDF1-induced Ca2+ flux (by 100% at 100 ng/ml in SUP-T1 and THP-1 cultures) as well as CXCR4-, but not CCR5-, mediated HIV infection (IC50 ≤200 nM), while enhancing the binding of SDF1 to CXCR7 (by ~60% at 1 mM with CXCR7-expressing HEK293T cells) and SDF1-induced β-arrestin recruitment to CXCR7 (EC50 = 6.48 and 11.8 nM, in the presence and absence of 10 μM AMD3100, respectively). Administration AMD3100 via intravenous infusion is also reported to result in hematopoietic stem cell mobilization in humans, dogs, and mice in vivo. Exhibits no inhibitory effects against chemokine-induced signaling via CXCR1/2/3 or CCR1/2/3/4/5/6/7/8/9.

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
UNII
OD49913540
NACRES
77 · NA.77
Symbol(GHS)
5 · GHS05,GHS02
Signal word
Danger
Hazard statements
314 · H314-H226
Precautionary statements
501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Safety Statements
22 · 22-24/25
WGK Germany
3 · 3
Storage Class
11 · 11 - Combustible Solids
15377098680 15377098680 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
武汉恒和达生物医药有限公司027-84888681 18086046872 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
常州莱诺斯化学有限公司86-519-86202821
济南祥开盛云化学有限公司531-67875205 15726170169 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
武汉励合化学新材料有限公司027-88395709
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技(武汉)有限公司027-59207879 1972026995 18140587686 · [email protected]
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
南京励合化学新材料有限公司025-87787262
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海皓之翔生物科技有限公司(原上海拓青化工有限公司)526763801 13301653310 · [email protected]
斯派螺(武汉)药物研发有限公司[email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海思言生物科技有限公司021-50908862,442785678,326799392 18721037013 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
江西伯业医药科技有限公司027-18971341812/18971341812 18971341812 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
Target molecule Corp.857-239-0968 · [email protected]